AD4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C11 | sing | 1.52Å | 1.57Å | |
| C34 | H341 | sing | 1.10Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C34 | H343 | sing | 1.09Å | 1.12Å | |
| C11 | C7 | sing | 1.54Å | 1.59Å | |
| C11 | C12 | sing | 1.52Å | 1.54Å | |
| C11 | O11 | sing | 1.42Å | 1.47Å | |
| C7 | C8 | sing | 1.54Å | 1.60Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C7 | O6 | sing | 1.43Å | 1.48Å | |
| C8 | C9 | sing | 1.54Å | 1.55Å | |
| C8 | O7 | sing | 1.44Å | 1.48Å | |
| C8 | H8 | sing | 1.10Å | 1.11Å | |
| C9 | C10 | sing | 1.55Å | 1.59Å | |
| C9 | H9C1 | sing | 1.10Å | 1.11Å | |
| C9 | H9C2 | sing | 1.10Å | 1.11Å | |
| C10 | C1 | sing | 1.57Å | 1.63Å | |
| C10 | C31 | sing | 1.54Å | 1.58Å | |
| C10 | O9 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | sing | 1.56Å | 1.57Å | |
| C1 | C5 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.10Å | 1.12Å | |
| C2 | O1 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O1 | C13 | sing | 1.36Å | 1.42Å | |
| C13 | O2 | doub | 1.23Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.10Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.54Å | 1.56Å | |
| C15 | H151 | sing | 1.10Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C16 | H161 | sing | 1.10Å | 1.12Å | |
| C16 | H162 | sing | 1.10Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.10Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.10Å | 1.12Å | |
| C18 | H182 | sing | 1.10Å | 1.12Å | |
| C19 | C20 | sing | 1.52Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.10Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.10Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.11Å | |
| C3 | O3 | sing | 1.44Å | 1.52Å | |
| C3 | C4 | sing | 1.50Å | 1.51Å | |
| C3 | H3 | sing | 1.10Å | 1.12Å | |
| O3 | C21 | sing | 1.36Å | 1.35Å | |
| C21 | O4 | doub | 1.22Å | 1.33Å | |
| C21 | C22 | sing | 1.48Å | 1.58Å | |
| C22 | C23 | sing | 1.50Å | 1.49Å | |
| C22 | C24 | doub | 1.35Å | 1.34Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.10Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.50Å | 1.50Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.10Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H253 | sing | 1.09Å | 1.11Å | |
| C4 | C26 | sing | 1.49Å | 1.50Å | |
| C4 | C5 | doub | 1.34Å | 1.39Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.49Å | 1.59Å | |
| C6 | O5 | sing | 1.44Å | 1.45Å | |
| C6 | H6 | sing | 1.10Å | 1.12Å | |
| O5 | C12 | sing | 1.37Å | 1.36Å | |
| C12 | O12 | doub | 1.22Å | 1.23Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| O9 | C32 | sing | 1.36Å | 1.34Å | |
| C32 | O10 | doub | 1.22Å | 1.21Å | |
| C32 | C33 | sing | 1.50Å | 1.46Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C33 | H333 | sing | 1.09Å | 1.12Å | |
| O7 | C27 | sing | 1.36Å | 1.43Å | |
| C27 | O8 | doub | 1.23Å | 1.24Å | |
| C27 | C28 | sing | 1.52Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | H281 | sing | 1.10Å | 1.11Å | |
| C28 | H282 | sing | 1.10Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.10Å | 1.11Å | |
| C29 | H292 | sing | 1.10Å | 1.11Å | |
| C30 | C45 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.10Å | 1.11Å | |
| O6 | HA | sing | 0.97Å | 0.95Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C57 | C56 | sing | 1.53Å | 1.54Å | |
| C57 | H571 | sing | 1.10Å | 1.12Å | |
| C57 | H572 | sing | 1.10Å | 1.12Å | |
| C57 | H573 | sing | 1.09Å | 1.12Å | |
| C56 | C55 | sing | 1.53Å | 1.55Å | |
| C56 | C54 | sing | 1.53Å | 1.55Å | |
| C56 | O2T | sing | 1.45Å | 1.47Å | |
| C55 | H551 | sing | 1.10Å | 1.11Å | |
| C55 | H552 | sing | 1.10Å | 1.12Å | |
| C55 | H553 | sing | 1.10Å | 1.12Å | |
| C54 | H541 | sing | 1.10Å | 1.11Å | |
| C54 | H542 | sing | 1.10Å | 1.11Å | |
| C54 | H543 | sing | 1.09Å | 1.12Å | |
| O2T | C53 | sing | 1.36Å | 1.38Å | |
| C53 | O1T | doub | 1.23Å | 1.23Å | |
| C53 | N1T | sing | 1.38Å | 1.30Å | |
| N1T | C52 | sing | 1.45Å | 1.45Å | |
| N1T | H1T | sing | 1.02Å | 1.02Å | |
| C52 | C51 | sing | 1.53Å | 1.52Å | |
| C52 | H521 | sing | 1.10Å | 1.12Å | |
| C52 | H522 | sing | 1.10Å | 1.11Å | |
| C51 | C50 | sing | 1.53Å | 1.52Å | |
| C51 | H511 | sing | 1.10Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C50 | C49 | sing | 1.53Å | 1.53Å | |
| C50 | H501 | sing | 1.10Å | 1.11Å | |
| C50 | H502 | sing | 1.10Å | 1.11Å | |
| C49 | C48 | sing | 1.53Å | 1.53Å | |
| C49 | H491 | sing | 1.10Å | 1.12Å | |
| C49 | H492 | sing | 1.10Å | 1.12Å | |
| C48 | C47 | sing | 1.53Å | 1.54Å | |
| C48 | H481 | sing | 1.10Å | 1.12Å | |
| C48 | H482 | sing | 1.10Å | 1.11Å | |
| C47 | C46 | sing | 1.53Å | 1.54Å | |
| C47 | H471 | sing | 1.10Å | 1.12Å | |
| C47 | H472 | sing | 1.10Å | 1.11Å | |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C46 | H461 | sing | 1.10Å | 1.11Å | |
| C46 | H462 | sing | 1.10Å | 1.12Å | |
| C45 | H451 | sing | 1.10Å | 1.12Å | |
| C45 | H452 | sing | 1.10Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C34 | H341 | 113.0° | 110.8° |
| C11 | C34 | H342 | 110.9° | 112.5° |
| C11 | C34 | H343 | 110.9° | 110.8° |
| C34 | C11 | C7 | 113.0° | 115.6° |
| C34 | C11 | C12 | 116.2° | 112.0° |
| C34 | C11 | O11 | 108.2° | 109.6° |
| H341 | C34 | H342 | 110.9° | 107.2° |
| H341 | C34 | H343 | 110.9° | 106.5° |
| H342 | C34 | H343 | 99.4° | 108.8° |
| C7 | C11 | C12 | 99.2° | 100.8° |
| C7 | C11 | O11 | 119.5° | 112.0° |
| C11 | C7 | C8 | 116.2° | 116.5° |
| C11 | C7 | C6 | 96.3° | 99.3° |
| C11 | C7 | O6 | 111.1° | 107.4° |
| C12 | C11 | O11 | 100.1° | 106.3° |
| C11 | C12 | O5 | 109.7° | 109.3° |
| C11 | C12 | O12 | 124.9° | 126.3° |
| C11 | O11 | H11 | 108.1° | 108.4° |
| C8 | C7 | C6 | 119.3° | 113.1° |
| C8 | C7 | O6 | 107.0° | 110.0° |
| C7 | C8 | C9 | 117.6° | 114.0° |
| C7 | C8 | O7 | 108.6° | 110.3° |
| C7 | C8 | H8 | 106.8° | 106.9° |
| C6 | C7 | O6 | 106.4° | 109.8° |
| C7 | C6 | C5 | 124.8° | 118.9° |
| C7 | C6 | O5 | 99.2° | 102.9° |
| C7 | C6 | H6 | 106.4° | 110.2° |
| C7 | O6 | HA | 111.1° | 108.1° |
| C9 | C8 | O7 | 109.9° | 110.1° |
| C9 | C8 | H8 | 106.7° | 106.4° |
| C8 | C9 | C10 | 122.2° | 120.4° |
| C8 | C9 | H9C1 | 107.7° | 106.6° |
| C8 | C9 | H9C2 | 107.7° | 108.7° |
| O7 | C8 | H8 | 106.7° | 109.0° |
| C8 | O7 | C27 | 120.3° | 118.7° |
| C10 | C9 | H9C1 | 107.7° | 107.8° |
| C10 | C9 | H9C2 | 107.7° | 108.1° |
| C9 | C10 | C1 | 120.1° | 112.9° |
| C9 | C10 | C31 | 106.4° | 112.8° |
| C9 | C10 | O9 | 106.0° | 106.3° |
| H9C1 | C9 | H9C2 | 102.1° | 104.0° |
| C1 | C10 | C31 | 113.1° | 112.3° |
| C1 | C10 | O9 | 112.1° | 103.2° |
| C10 | C1 | C2 | 113.0° | 113.8° |
| C10 | C1 | C5 | 114.3° | 117.0° |
| C10 | C1 | H1 | 108.9° | 107.3° |
| C31 | C10 | O9 | 96.4° | 108.6° |
| C10 | C31 | H311 | 106.4° | 111.1° |
| C10 | C31 | H312 | 113.4° | 112.4° |
| C10 | C31 | H313 | 113.4° | 111.6° |
| C10 | O9 | C32 | 135.8° | 123.6° |
| C2 | C1 | C5 | 102.6° | 102.3° |
| C2 | C1 | H1 | 108.9° | 106.7° |
| C1 | C2 | O1 | 111.1° | 106.6° |
| C1 | C2 | C3 | 109.7° | 106.8° |
| C1 | C2 | H2 | 110.5° | 112.0° |
| C5 | C1 | H1 | 108.9° | 109.2° |
| C1 | C5 | C4 | 110.8° | 112.1° |
| C1 | C5 | C6 | 120.0° | 123.1° |
| O1 | C2 | C3 | 104.5° | 108.8° |
| O1 | C2 | H2 | 110.5° | 109.5° |
| C2 | O1 | C13 | 113.0° | 124.5° |
| C3 | C2 | H2 | 110.4° | 112.9° |
| C2 | C3 | O3 | 99.1° | 109.0° |
| C2 | C3 | C4 | 103.6° | 103.5° |
| C2 | C3 | H3 | 113.0° | 111.6° |
| O1 | C13 | O2 | 126.3° | 120.4° |
| O1 | C13 | C14 | 109.7° | 116.9° |
| O2 | C13 | C14 | 124.1° | 122.7° |
| C13 | C14 | C15 | 115.9° | 113.6° |
| C13 | C14 | H141 | 109.9° | 107.1° |
| C13 | C14 | H142 | 109.9° | 110.5° |
| C15 | C14 | H141 | 109.9° | 108.4° |
| C15 | C14 | H142 | 109.8° | 108.8° |
| C14 | C15 | C16 | 118.5° | 115.5° |
| C14 | C15 | H151 | 108.9° | 108.9° |
| C14 | C15 | H152 | 108.9° | 108.3° |
| H141 | C14 | H142 | 100.3° | 108.3° |
| C16 | C15 | H151 | 109.0° | 107.9° |
| C16 | C15 | H152 | 109.0° | 109.8° |
| C15 | C16 | C17 | 113.8° | 116.6° |
| C15 | C16 | H161 | 110.7° | 108.6° |
| C15 | C16 | H162 | 110.7° | 108.3° |
| H151 | C15 | H152 | 101.1° | 105.9° |
| C17 | C16 | H161 | 110.6° | 109.5° |
| C17 | C16 | H162 | 110.6° | 107.7° |
| C16 | C17 | C18 | 113.7° | 115.1° |
| C16 | C17 | H171 | 110.6° | 112.0° |
| C16 | C17 | H172 | 110.7° | 106.9° |
| H161 | C16 | H162 | 99.6° | 105.5° |
| C18 | C17 | H171 | 110.7° | 110.7° |
| C18 | C17 | H172 | 110.6° | 106.2° |
| C17 | C18 | C19 | 115.9° | 116.7° |
| C17 | C18 | H181 | 109.9° | 108.9° |
| C17 | C18 | H182 | 109.9° | 108.0° |
| H171 | C17 | H172 | 99.6° | 105.3° |
| C19 | C18 | H181 | 109.9° | 108.5° |
| C19 | C18 | H182 | 109.8° | 108.3° |
| C18 | C19 | C20 | 108.7° | 113.6° |
| C18 | C19 | H191 | 112.5° | 110.5° |
| C18 | C19 | H192 | 112.5° | 108.1° |
| H181 | C18 | H182 | 100.3° | 105.9° |
| C20 | C19 | H191 | 112.5° | 110.1° |
| C20 | C19 | H192 | 112.5° | 108.2° |
| C19 | C20 | H201 | 108.7° | 111.1° |
| C19 | C20 | H202 | 112.5° | 110.1° |
| C19 | C20 | H203 | 112.5° | 111.6° |
| H191 | C19 | H192 | 97.9° | 106.0° |
| H201 | C20 | H202 | 112.5° | 108.0° |
| H201 | C20 | H203 | 112.5° | 108.4° |
| H202 | C20 | H203 | 98.0° | 107.6° |
| O3 | C3 | C4 | 113.8° | 108.9° |
| O3 | C3 | H3 | 113.1° | 112.1° |
| C3 | O3 | C21 | 120.3° | 118.1° |
| C4 | C3 | H3 | 113.1° | 111.3° |
| C3 | C4 | C26 | 117.3° | 119.4° |
| C3 | C4 | C5 | 113.2° | 112.4° |
| O3 | C21 | O4 | 125.7° | 127.3° |
| O3 | C21 | C22 | 114.2° | 108.4° |
| O4 | C21 | C22 | 120.0° | 124.3° |
| C21 | C22 | C23 | 108.8° | 117.2° |
| C21 | C22 | C24 | 133.8° | 120.1° |
| C23 | C22 | C24 | 117.4° | 122.7° |
| C22 | C23 | H231 | 108.9° | 110.6° |
| C22 | C23 | H232 | 112.5° | 110.6° |
| C22 | C23 | H233 | 112.4° | 112.0° |
| C22 | C24 | C25 | 131.1° | 128.2° |
| C22 | C24 | H24 | 114.5° | 117.7° |
| H231 | C23 | H232 | 112.4° | 108.4° |
| H231 | C23 | H233 | 112.5° | 107.7° |
| H232 | C23 | H233 | 98.0° | 107.4° |
| C25 | C24 | H24 | 114.5° | 114.1° |
| C24 | C25 | H251 | 131.1° | 110.0° |
| C24 | C25 | H252 | 104.7° | 109.4° |
| C24 | C25 | H253 | 104.7° | 113.5° |
| H251 | C25 | H252 | 104.7° | 108.1° |
| H251 | C25 | H253 | 104.7° | 108.6° |
| H252 | C25 | H253 | 104.3° | 107.0° |
| C26 | C4 | C5 | 129.5° | 128.2° |
| C4 | C26 | H261 | 129.5° | 113.0° |
| C4 | C26 | H262 | 105.3° | 110.5° |
| C4 | C26 | H263 | 105.3° | 110.0° |
| C4 | C5 | C6 | 129.1° | 124.5° |
| H261 | C26 | H262 | 105.2° | 107.1° |
| H261 | C26 | H263 | 105.2° | 107.6° |
| H262 | C26 | H263 | 104.0° | 108.5° |
| C5 | C6 | O5 | 112.4° | 112.2° |
| C5 | C6 | H6 | 106.3° | 106.3° |
| O5 | C6 | H6 | 106.3° | 105.7° |
| C6 | O5 | C12 | 106.4° | 108.3° |
| O5 | C12 | O12 | 125.4° | 124.4° |
| H311 | C31 | H312 | 113.3° | 108.4° |
| H311 | C31 | H313 | 113.4° | 106.2° |
| H312 | C31 | H313 | 97.1° | 106.9° |
| O9 | C32 | O10 | 125.3° | 127.3° |
| O9 | C32 | C33 | 109.9° | 109.1° |
| O10 | C32 | C33 | 124.7° | 123.7° |
| C32 | C33 | H331 | 109.9° | 109.8° |
| C32 | C33 | H332 | 112.0° | 109.4° |
| C32 | C33 | H333 | 112.1° | 109.8° |
| H331 | C33 | H332 | 112.0° | 108.5° |
| H331 | C33 | H333 | 112.1° | 110.7° |
| H332 | C33 | H333 | 98.3° | 108.7° |
| O7 | C27 | O8 | 128.3° | 125.7° |
| O7 | C27 | C28 | 108.3° | 111.6° |
| O8 | C27 | C28 | 123.5° | 122.6° |
| C27 | C28 | C29 | 110.5° | 115.4° |
| C27 | C28 | H281 | 111.8° | 108.5° |
| C27 | C28 | H282 | 111.8° | 105.9° |
| C29 | C28 | H281 | 111.8° | 111.6° |
| C29 | C28 | H282 | 111.8° | 107.5° |
| C28 | C29 | C30 | 106.8° | 112.3° |
| C28 | C29 | H291 | 113.2° | 108.1° |
| C28 | C29 | H292 | 113.2° | 110.5° |
| H281 | C28 | H282 | 98.6° | 107.6° |
| C30 | C29 | H291 | 113.2° | 108.4° |
| C30 | C29 | H292 | 113.2° | 110.3° |
| C29 | C30 | C45 | 111.4° | 113.8° |
| C29 | C30 | H301 | 111.5° | 109.5° |
| C29 | C30 | H302 | 111.5° | 109.8° |
| H291 | C29 | H292 | 97.3° | 107.0° |
| C45 | C30 | H301 | 111.5° | 107.2° |
| C45 | C30 | H302 | 111.5° | 109.8° |
| C30 | C45 | C46 | 111.1° | 113.4° |
| C30 | C45 | H451 | 111.6° | 107.8° |
| C30 | C45 | H452 | 111.6° | 109.8° |
| H301 | C30 | H302 | 98.9° | 106.5° |
| C56 | C57 | H571 | 108.7° | 110.9° |
| C56 | C57 | H572 | 112.5° | 111.9° |
| C56 | C57 | H573 | 112.5° | 110.7° |
| C57 | C56 | C55 | 108.7° | 108.8° |
| C57 | C56 | C54 | 109.0° | 108.8° |
| C57 | C56 | O2T | 106.9° | 105.0° |
| H571 | C57 | H572 | 112.5° | 108.5° |
| H571 | C57 | H573 | 112.5° | 106.4° |
| H572 | C57 | H573 | 98.0° | 108.3° |
| C55 | C56 | C54 | 110.5° | 112.1° |
| C55 | C56 | O2T | 110.5° | 110.7° |
| C56 | C55 | H551 | 108.7° | 111.8° |
| C56 | C55 | H552 | 112.5° | 110.8° |
| C56 | C55 | H553 | 112.5° | 111.4° |
| C54 | C56 | O2T | 111.1° | 111.1° |
| C56 | C54 | H541 | 109.0° | 110.8° |
| C56 | C54 | H542 | 112.4° | 111.3° |
| C56 | C54 | H543 | 112.4° | 111.9° |
| C56 | O2T | C53 | 115.6° | 122.2° |
| H551 | C55 | H552 | 112.5° | 106.6° |
| H551 | C55 | H553 | 112.5° | 107.5° |
| H552 | C55 | H553 | 98.0° | 108.5° |
| H541 | C54 | H542 | 112.4° | 108.6° |
| H541 | C54 | H543 | 112.3° | 106.7° |
| H542 | C54 | H543 | 98.1° | 107.4° |
| O2T | C53 | O1T | 120.1° | 125.4° |
| O2T | C53 | N1T | 117.8° | 109.3° |
| O1T | C53 | N1T | 122.1° | 125.3° |
| C53 | N1T | C52 | 120.7° | 123.9° |
| C53 | N1T | H1T | 119.7° | 118.1° |
| C52 | N1T | H1T | 119.6° | 118.0° |
| N1T | C52 | C51 | 108.2° | 112.1° |
| N1T | C52 | H521 | 112.7° | 109.8° |
| N1T | C52 | H522 | 112.7° | 106.4° |
| C51 | C52 | H521 | 112.7° | 110.9° |
| C51 | C52 | H522 | 112.7° | 109.5° |
| C52 | C51 | C50 | 110.4° | 112.8° |
| C52 | C51 | H511 | 111.9° | 108.5° |
| C52 | C51 | H512 | 111.9° | 109.1° |
| H521 | C52 | H522 | 97.8° | 108.0° |
| C50 | C51 | H511 | 111.9° | 108.7° |
| C50 | C51 | H512 | 111.9° | 110.4° |
| C51 | C50 | C49 | 111.2° | 113.4° |
| C51 | C50 | H501 | 111.5° | 110.4° |
| C51 | C50 | H502 | 111.6° | 109.0° |
| H511 | C51 | H512 | 98.5° | 107.2° |
| C49 | C50 | H501 | 111.6° | 109.5° |
| C49 | C50 | H502 | 111.6° | 108.1° |
| C50 | C49 | C48 | 110.8° | 115.7° |
| C50 | C49 | H491 | 111.7° | 108.2° |
| C50 | C49 | H492 | 111.7° | 109.0° |
| H501 | C50 | H502 | 98.8° | 106.1° |
| C48 | C49 | H491 | 111.7° | 108.7° |
| C48 | C49 | H492 | 111.7° | 108.5° |
| C49 | C48 | C47 | 111.5° | 113.4° |
| C49 | C48 | H481 | 111.5° | 108.2° |
| C49 | C48 | H482 | 111.4° | 109.8° |
| H491 | C49 | H492 | 98.7° | 106.4° |
| C47 | C48 | H481 | 111.4° | 109.2° |
| C47 | C48 | H482 | 111.5° | 109.8° |
| C48 | C47 | C46 | 111.9° | 111.6° |
| C48 | C47 | H471 | 111.3° | 109.7° |
| C48 | C47 | H472 | 111.3° | 109.9° |
| H481 | C48 | H482 | 98.9° | 106.3° |
| C46 | C47 | H471 | 111.3° | 109.6° |
| C46 | C47 | H472 | 111.3° | 108.7° |
| C47 | C46 | C45 | 111.6° | 110.7° |
| C47 | C46 | H461 | 111.4° | 109.5° |
| C47 | C46 | H462 | 111.4° | 109.4° |
| H471 | C47 | H472 | 99.0° | 107.2° |
| C45 | C46 | H461 | 111.4° | 109.6° |
| C45 | C46 | H462 | 111.4° | 110.2° |
| C46 | C45 | H451 | 111.6° | 108.9° |
| C46 | C45 | H452 | 111.6° | 110.0° |
| H461 | C46 | H462 | 99.0° | 107.4° |
| H451 | C45 | H452 | 98.8° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C34 | H341 | H342 | 125.3° | 123.1° |
| C11 | C34 | H341 | H343 | 125.3° | 120.6° |
| C11 | C34 | H342 | H343 | 116.8° | 123.1° |
| C34 | C11 | C7 | C12 | 123.8° | 120.9° |
| C34 | C11 | C7 | O11 | 129.0° | 126.5° |
| C34 | C11 | C12 | O11 | 116.1° | 119.7° |
| C34 | C11 | C7 | C8 | 70.9° | 80.9° |
| C34 | C11 | C7 | C6 | 162.0° | 157.4° |
| C34 | C11 | C7 | O6 | 51.7° | 43.0° |
| C34 | C11 | C12 | O5 | 134.3° | 141.7° |
| C34 | C11 | C12 | O12 | 46.3° | 38.6° |
| C34 | C11 | O11 | H11 | 180.0° | 52.9° |
| H341 | C34 | H342 | H343 | 116.8° | 114.8° |
| H341 | C34 | C11 | C7 | 180.0° | 178.0° |
| H341 | C34 | C11 | C12 | 66.2° | 67.4° |
| H341 | C34 | C11 | O11 | 45.3° | 50.3° |
| H342 | C34 | C11 | C7 | 54.7° | 62.0° |
| H342 | C34 | C11 | C12 | 59.1° | 52.7° |
| H342 | C34 | C11 | O11 | 170.6° | 170.3° |
| H343 | C34 | C11 | C7 | 54.7° | 60.0° |
| H343 | C34 | C11 | C12 | 168.5° | 174.6° |
| H343 | C34 | C11 | O11 | 80.0° | 67.7° |
| C7 | C11 | C12 | O11 | 122.4° | 116.9° |
| C11 | C7 | C8 | C6 | 114.6° | 114.2° |
| C11 | C7 | C8 | O6 | 124.7° | 122.5° |
| C11 | C7 | C6 | O6 | 114.2° | 112.5° |
| C11 | C7 | C8 | C9 | 178.5° | 165.1° |
| C11 | C7 | C8 | O7 | 53.0° | 70.5° |
| C11 | C7 | C8 | H8 | 61.7° | 47.9° |
| C11 | C7 | C6 | C5 | 177.6° | 168.2° |
| C11 | C7 | C6 | O5 | 51.9° | 43.5° |
| C11 | C7 | C6 | H6 | 58.3° | 68.9° |
| C7 | C11 | C12 | O5 | 12.8° | 18.2° |
| C7 | C11 | C12 | O12 | 167.8° | 162.1° |
| C11 | C7 | O6 | HA | 180.0° | 77.3° |
| C7 | C11 | O11 | H11 | 48.8° | 177.4° |
| C12 | C11 | C7 | C8 | 165.3° | 158.2° |
| C12 | C11 | C7 | C6 | 38.3° | 36.5° |
| C12 | C11 | C7 | O6 | 72.1° | 77.9° |
| C11 | C12 | O5 | C6 | 21.6° | 9.6° |
| C11 | C12 | O5 | O12 | 179.4° | 179.7° |
| C12 | C11 | O11 | H11 | 57.9° | 68.2° |
| O11 | C11 | C7 | C8 | 58.1° | 45.6° |
| O11 | C11 | C7 | C6 | 68.9° | 76.1° |
| O11 | C11 | C7 | O6 | 179.3° | 169.5° |
| O11 | C11 | C12 | O5 | 109.6° | 98.7° |
| O11 | C11 | C12 | O12 | 69.8° | 81.0° |
| C8 | C7 | C6 | O6 | 120.9° | 123.4° |
| C7 | C8 | C9 | O7 | 124.9° | 124.5° |
| C7 | C8 | C9 | H8 | 119.8° | 117.5° |
| C7 | C8 | O7 | H8 | 114.8° | 117.1° |
| C7 | C8 | C9 | C10 | 47.4° | 62.5° |
| C7 | C8 | C9 | H9C1 | 172.7° | 174.4° |
| C7 | C8 | C9 | H9C2 | 77.8° | 62.9° |
| C8 | C7 | C6 | C5 | 57.5° | 67.6° |
| C8 | C7 | C6 | O5 | 176.8° | 167.6° |
| C8 | C7 | C6 | H6 | 66.6° | 55.3° |
| C7 | C8 | O7 | C27 | 114.5° | 86.2° |
| C8 | C7 | O6 | HA | 52.2° | 50.5° |
| C6 | C7 | C8 | C9 | 63.9° | 80.8° |
| C6 | C7 | C8 | O7 | 61.6° | 43.7° |
| C6 | C7 | C8 | H8 | 176.3° | 162.1° |
| C7 | C6 | C5 | C1 | 0.8° | 4.3° |
| C7 | C6 | C5 | C4 | 179.0° | 178.6° |
| C7 | C6 | C5 | O5 | 119.9° | 120.1° |
| C7 | C6 | C5 | H6 | 124.2° | 124.8° |
| C7 | C6 | O5 | H6 | 110.2° | 115.6° |
| C7 | C6 | O5 | C12 | 47.3° | 34.1° |
| C6 | C7 | O6 | HA | 76.3° | 175.6° |
| O6 | C7 | C8 | C9 | 56.7° | 42.5° |
| O6 | C7 | C8 | O7 | 177.8° | 166.9° |
| O6 | C7 | C8 | H8 | 63.0° | 74.7° |
| O6 | C7 | C6 | C5 | 63.4° | 55.8° |
| O6 | C7 | C6 | O5 | 62.3° | 69.0° |
| O6 | C7 | C6 | H6 | 172.5° | 178.6° |
| C9 | C8 | O7 | H8 | 115.4° | 116.3° |
| C8 | C9 | C10 | H9C1 | 125.2° | 122.5° |
| C8 | C9 | C10 | H9C2 | 125.3° | 125.7° |
| C8 | C9 | H9C1 | H9C2 | 113.3° | 114.8° |
| C8 | C9 | C10 | C1 | 54.1° | 58.0° |
| C8 | C9 | C10 | C31 | 75.9° | 70.7° |
| C8 | C9 | C10 | O9 | 177.7° | 170.4° |
| C9 | C8 | O7 | C27 | 115.6° | 147.1° |
| O7 | C8 | C9 | C10 | 77.4° | 62.0° |
| O7 | C8 | C9 | H9C1 | 47.8° | 61.1° |
| O7 | C8 | C9 | H9C2 | 157.3° | 172.6° |
| C8 | O7 | C27 | O8 | 0.1° | 31.2° |
| C8 | O7 | C27 | C28 | 179.8° | 151.9° |
| H8 | C8 | C9 | C10 | 167.2° | 180.0° |
| H8 | C8 | C9 | H9C1 | 67.5° | 56.9° |
| H8 | C8 | C9 | H9C2 | 41.9° | 54.6° |
| H8 | C8 | O7 | C27 | 0.2° | 30.8° |
| C10 | C9 | H9C1 | H9C2 | 113.3° | 114.6° |
| C9 | C10 | C1 | C31 | 127.0° | 128.9° |
| C9 | C10 | C1 | O9 | 125.3° | 114.3° |
| C9 | C10 | C31 | O9 | 108.7° | 117.5° |
| C9 | C10 | C1 | C2 | 169.3° | 168.3° |
| C9 | C10 | C1 | C5 | 73.8° | 72.6° |
| C9 | C10 | C1 | H1 | 48.2° | 50.5° |
| C9 | C10 | C31 | H311 | 180.0° | 158.0° |
| C9 | C10 | C31 | H312 | 54.7° | 80.3° |
| C9 | C10 | C31 | H313 | 54.7° | 39.7° |
| C9 | C10 | O9 | C32 | 71.0° | 6.2° |
| H9C1 | C9 | C10 | C1 | 179.4° | 179.5° |
| H9C1 | C9 | C10 | C31 | 49.3° | 51.8° |
| H9C1 | C9 | C10 | O9 | 52.5° | 67.0° |
| H9C2 | C9 | C10 | C1 | 71.2° | 67.7° |
| H9C2 | C9 | C10 | C31 | 158.8° | 163.6° |
| H9C2 | C9 | C10 | O9 | 57.0° | 44.8° |
| C1 | C10 | C31 | O9 | 117.3° | 113.5° |
| C10 | C1 | C2 | C5 | 123.6° | 127.2° |
| C10 | C1 | C2 | H1 | 121.1° | 118.2° |
| C10 | C1 | C5 | H1 | 122.0° | 122.1° |
| C10 | C1 | C2 | O1 | 123.4° | 132.7° |
| C10 | C1 | C2 | C3 | 121.5° | 111.2° |
| C10 | C1 | C2 | H2 | 0.5° | 12.9° |
| C10 | C1 | C5 | C4 | 121.2° | 114.7° |
| C10 | C1 | C5 | C6 | 58.6° | 60.3° |
| C1 | C10 | C31 | H311 | 46.1° | 73.0° |
| C1 | C10 | C31 | H312 | 79.2° | 48.7° |
| C1 | C10 | C31 | H313 | 171.4° | 168.7° |
| C1 | C10 | O9 | C32 | 61.7° | 125.3° |
| C31 | C10 | C1 | C2 | 63.7° | 62.8° |
| C31 | C10 | C1 | C5 | 53.2° | 56.4° |
| C31 | C10 | C1 | H1 | 175.2° | 179.4° |
| C10 | C31 | H311 | H312 | 125.3° | 123.9° |
| C10 | C31 | H311 | H313 | 125.3° | 121.6° |
| C10 | C31 | H312 | H313 | 119.3° | 122.8° |
| C31 | C10 | O9 | C32 | 179.9° | 115.4° |
| O9 | C10 | C1 | C2 | 44.0° | 54.0° |
| O9 | C10 | C1 | C5 | 160.9° | 173.1° |
| O9 | C10 | C1 | H1 | 77.2° | 63.9° |
| O9 | C10 | C31 | H311 | 71.3° | 40.5° |
| O9 | C10 | C31 | H312 | 163.5° | 162.1° |
| O9 | C10 | C31 | H313 | 54.0° | 77.8° |
| C10 | O9 | C32 | O10 | 57.9° | 29.6° |
| C10 | O9 | C32 | C33 | 122.2° | 150.4° |
| C2 | C1 | C5 | H1 | 115.3° | 112.8° |
| C1 | C2 | O1 | C3 | 118.2° | 114.8° |
| C1 | C2 | O1 | H2 | 122.9° | 121.3° |
| C1 | C2 | C3 | H2 | 122.0° | 123.5° |
| C1 | C2 | O1 | C13 | 144.1° | 96.8° |
| C1 | C2 | C3 | O3 | 115.4° | 99.9° |
| C1 | C2 | C3 | C4 | 1.9° | 15.9° |
| C1 | C2 | C3 | H3 | 124.6° | 135.7° |
| C2 | C1 | C5 | C4 | 1.5° | 10.4° |
| C2 | C1 | C5 | C6 | 178.7° | 174.6° |
| C5 | C1 | C2 | O1 | 113.0° | 100.1° |
| C5 | C1 | C2 | C3 | 2.1° | 16.0° |
| C5 | C1 | C2 | H2 | 124.0° | 140.1° |
| C1 | C5 | C4 | C3 | 0.4° | 0.4° |
| C1 | C5 | C4 | C26 | 179.5° | 177.3° |
| C1 | C5 | C4 | C6 | 179.8° | 174.9° |
| C1 | C5 | C6 | O5 | 119.1° | 124.4° |
| C1 | C5 | C6 | H6 | 124.9° | 120.5° |
| H1 | C1 | C2 | O1 | 2.3° | 14.5° |
| H1 | C1 | C2 | C3 | 117.4° | 130.6° |
| H1 | C1 | C2 | H2 | 120.7° | 105.3° |
| H1 | C1 | C5 | C4 | 116.8° | 123.2° |
| H1 | C1 | C5 | C6 | 63.4° | 61.8° |
| O1 | C2 | C3 | H2 | 118.8° | 121.8° |
| C2 | O1 | C13 | O2 | 37.9° | 144.9° |
| C2 | O1 | C13 | C14 | 141.8° | 33.5° |
| O1 | C2 | C3 | O3 | 125.4° | 145.4° |
| O1 | C2 | C3 | C4 | 117.3° | 98.8° |
| O1 | C2 | C3 | H3 | 5.4° | 21.0° |
| C3 | C2 | O1 | C13 | 97.7° | 148.4° |
| C2 | C3 | O3 | C4 | 109.3° | 112.3° |
| C2 | C3 | O3 | H3 | 119.9° | 124.1° |
| C2 | C3 | C4 | H3 | 122.7° | 120.1° |
| C2 | C3 | O3 | C21 | 138.0° | 85.3° |
| C2 | C3 | C4 | C26 | 179.2° | 172.0° |
| C2 | C3 | C4 | C5 | 0.9° | 10.0° |
| H2 | C2 | O1 | C13 | 21.1° | 24.6° |
| H2 | C2 | C3 | O3 | 6.5° | 23.6° |
| H2 | C2 | C3 | C4 | 123.8° | 139.4° |
| H2 | C2 | C3 | H3 | 113.4° | 100.7° |
| O1 | C13 | O2 | C14 | 179.6° | 178.3° |
| O1 | C13 | C14 | C15 | 118.1° | 134.5° |
| O1 | C13 | C14 | H141 | 116.6° | 105.9° |
| O1 | C13 | C14 | H142 | 7.1° | 11.9° |
| O2 | C13 | C14 | C15 | 61.5° | 47.1° |
| O2 | C13 | C14 | H141 | 63.8° | 72.5° |
| O2 | C13 | C14 | H142 | 173.2° | 169.7° |
| C13 | C14 | C15 | H141 | 125.3° | 118.9° |
| C13 | C14 | C15 | H142 | 125.2° | 123.5° |
| C13 | C14 | H141 | H142 | 115.7° | 119.2° |
| C13 | C14 | C15 | C16 | 97.4° | 115.2° |
| C13 | C14 | C15 | H151 | 137.3° | 123.2° |
| C13 | C14 | C15 | H152 | 27.9° | 8.4° |
| C15 | C14 | H141 | H142 | 115.6° | 117.8° |
| C14 | C15 | C16 | H151 | 125.3° | 122.2° |
| C14 | C15 | C16 | H152 | 125.3° | 122.8° |
| C14 | C15 | H151 | H152 | 114.6° | 116.3° |
| C14 | C15 | C16 | C17 | 132.6° | 121.0° |
| C14 | C15 | C16 | H161 | 7.3° | 114.7° |
| C14 | C15 | C16 | H162 | 102.2° | 0.6° |
| H141 | C14 | C15 | C16 | 27.9° | 3.8° |
| H141 | C14 | C15 | H151 | 97.4° | 117.9° |
| H141 | C14 | C15 | H152 | 153.2° | 127.3° |
| H142 | C14 | C15 | C16 | 137.3° | 121.3° |
| H142 | C14 | C15 | H151 | 12.1° | 0.3° |
| H142 | C14 | C15 | H152 | 97.4° | 115.1° |
| C16 | C15 | H151 | H152 | 114.7° | 117.5° |
| C15 | C16 | C17 | H161 | 125.3° | 123.8° |
| C15 | C16 | C17 | H162 | 125.3° | 121.9° |
| C15 | C16 | H161 | H162 | 116.5° | 115.9° |
| C15 | C16 | C17 | C18 | 100.9° | 87.5° |
| C15 | C16 | C17 | H171 | 24.4° | 144.9° |
| C15 | C16 | C17 | H172 | 133.8° | 30.1° |
| H151 | C15 | C16 | C17 | 102.2° | 116.8° |
| H151 | C15 | C16 | H161 | 132.6° | 7.5° |
| H151 | C15 | C16 | H162 | 23.1° | 121.6° |
| H152 | C15 | C16 | C17 | 7.3° | 1.8° |
| H152 | C15 | C16 | H161 | 118.0° | 122.5° |
| H152 | C15 | C16 | H162 | 132.6° | 123.4° |
| C17 | C16 | H161 | H162 | 116.5° | 115.7° |
| C16 | C17 | C18 | H171 | 125.3° | 128.3° |
| C16 | C17 | C18 | H172 | 125.3° | 118.0° |
| C16 | C17 | H171 | H172 | 116.5° | 115.8° |
| C16 | C17 | C18 | C19 | 99.9° | 127.7° |
| C16 | C17 | C18 | H181 | 25.3° | 4.4° |
| C16 | C17 | C18 | H182 | 134.8° | 110.1° |
| H161 | C16 | C17 | C18 | 133.8° | 148.7° |
| H161 | C16 | C17 | H171 | 100.9° | 21.1° |
| H161 | C16 | C17 | H172 | 8.5° | 93.7° |
| H162 | C16 | C17 | C18 | 24.4° | 34.4° |
| H162 | C16 | C17 | H171 | 149.7° | 93.2° |
| H162 | C16 | C17 | H172 | 100.9° | 152.0° |
| C18 | C17 | H171 | H172 | 116.5° | 114.3° |
| C17 | C18 | C19 | H181 | 125.3° | 123.4° |
| C17 | C18 | C19 | H182 | 125.3° | 122.0° |
| C17 | C18 | H181 | H182 | 115.7° | 115.9° |
| C17 | C18 | C19 | C20 | 122.8° | 120.5° |
| C17 | C18 | C19 | H191 | 111.9° | 3.8° |
| C17 | C18 | C19 | H192 | 2.4° | 119.3° |
| H171 | C17 | C18 | C19 | 134.8° | 0.6° |
| H171 | C17 | C18 | H181 | 99.9° | 123.8° |
| H171 | C17 | C18 | H182 | 9.5° | 121.6° |
| H172 | C17 | C18 | C19 | 25.3° | 114.3° |
| H172 | C17 | C18 | H181 | 150.6° | 122.5° |
| H172 | C17 | C18 | H182 | 99.9° | 7.9° |
| C19 | C18 | H181 | H182 | 115.7° | 116.1° |
| C18 | C19 | C20 | H191 | 125.3° | 124.5° |
| C18 | C19 | C20 | H192 | 125.3° | 120.1° |
| C18 | C19 | H191 | H192 | 118.5° | 116.9° |
| C18 | C19 | C20 | H201 | 180.0° | 55.0° |
| C18 | C19 | C20 | H202 | 54.7° | 174.6° |
| C18 | C19 | C20 | H203 | 54.8° | 66.0° |
| H181 | C18 | C19 | C20 | 2.4° | 116.0° |
| H181 | C18 | C19 | H191 | 122.8° | 119.6° |
| H181 | C18 | C19 | H192 | 127.7° | 4.1° |
| H182 | C18 | C19 | C20 | 111.9° | 1.5° |
| H182 | C18 | C19 | H191 | 13.3° | 125.8° |
| H182 | C18 | C19 | H192 | 122.8° | 118.7° |
| C20 | C19 | H191 | H192 | 118.4° | 116.8° |
| C19 | C20 | H201 | H202 | 125.2° | 120.8° |
| C19 | C20 | H201 | H203 | 125.3° | 122.9° |
| C19 | C20 | H202 | H203 | 118.5° | 121.8° |
| H191 | C19 | C20 | H201 | 54.7° | 179.5° |
| H191 | C19 | C20 | H202 | 180.0° | 60.9° |
| H191 | C19 | C20 | H203 | 70.5° | 58.5° |
| H192 | C19 | C20 | H201 | 54.7° | 65.1° |
| H192 | C19 | C20 | H202 | 70.5° | 54.5° |
| H192 | C19 | C20 | H203 | 179.9° | 173.9° |
| H201 | C20 | H202 | H203 | 118.4° | 116.8° |
| O3 | C3 | C4 | H3 | 130.7° | 124.1° |
| C3 | O3 | C21 | O4 | 13.6° | 2.5° |
| C3 | O3 | C21 | C22 | 166.5° | 177.0° |
| O3 | C3 | C4 | C26 | 74.3° | 72.2° |
| O3 | C3 | C4 | C5 | 105.6° | 105.8° |
| C4 | C3 | O3 | C21 | 112.7° | 162.4° |
| C3 | C4 | C26 | C5 | 179.8° | 177.6° |
| C3 | C4 | C26 | H261 | 0.2° | 179.0° |
| C3 | C4 | C26 | H262 | 125.4° | 59.0° |
| C3 | C4 | C26 | H263 | 125.1° | 60.7° |
| C3 | C4 | C5 | C6 | 179.8° | 175.3° |
| H3 | C3 | O3 | C21 | 18.0° | 38.8° |
| H3 | C3 | C4 | C26 | 56.5° | 52.0° |
| H3 | C3 | C4 | C5 | 123.6° | 130.0° |
| O3 | C21 | O4 | C22 | 179.9° | 179.4° |
| O3 | C21 | C22 | C23 | 133.6° | 52.4° |
| O3 | C21 | C22 | C24 | 46.5° | 129.5° |
| O4 | C21 | C22 | C23 | 46.5° | 128.1° |
| O4 | C21 | C22 | C24 | 133.5° | 50.0° |
| C21 | C22 | C23 | C24 | 180.0° | 178.1° |
| C21 | C22 | C23 | H231 | 180.0° | 72.9° |
| C21 | C22 | C23 | H232 | 54.8° | 47.2° |
| C21 | C22 | C23 | H233 | 54.7° | 166.9° |
| C21 | C22 | C24 | C25 | 0.1° | 4.1° |
| C21 | C22 | C24 | H24 | 180.0° | 177.9° |
| C22 | C23 | H231 | H232 | 125.3° | 121.4° |
| C22 | C23 | H231 | H233 | 125.3° | 122.7° |
| C22 | C23 | H232 | H233 | 118.4° | 122.4° |
| C23 | C22 | C24 | C25 | 179.9° | 177.9° |
| C23 | C22 | C24 | H24 | 0.1° | 0.1° |
| C24 | C22 | C23 | H231 | 0.0° | 109.0° |
| C24 | C22 | C23 | H232 | 125.3° | 130.8° |
| C24 | C22 | C23 | H233 | 125.2° | 11.1° |
| C22 | C24 | C25 | H24 | 180.0° | 178.1° |
| C22 | C24 | C25 | H251 | 180.0° | 110.5° |
| C22 | C24 | C25 | H252 | 54.7° | 130.9° |
| C22 | C24 | C25 | H253 | 54.7° | 11.5° |
| H231 | C23 | H232 | H233 | 118.4° | 116.1° |
| C24 | C25 | H251 | H252 | 125.3° | 119.4° |
| C24 | C25 | H251 | H253 | 125.2° | 124.9° |
| C24 | C25 | H252 | H253 | 109.7° | 123.4° |
| H24 | C24 | C25 | H251 | 0.0° | 71.5° |
| H24 | C24 | C25 | H252 | 125.3° | 47.2° |
| H24 | C24 | C25 | H253 | 125.3° | 166.5° |
| H251 | C25 | H252 | H253 | 109.8° | 116.8° |
| C4 | C26 | H261 | H262 | 125.3° | 121.9° |
| C4 | C26 | H261 | H263 | 125.3° | 121.7° |
| C4 | C26 | H262 | H263 | 110.4° | 120.7° |
| C26 | C4 | C5 | C6 | 0.3° | 2.5° |
| C5 | C4 | C26 | H261 | 180.0° | 1.3° |
| C5 | C4 | C26 | H262 | 54.7° | 118.6° |
| C5 | C4 | C26 | H263 | 54.8° | 121.6° |
| C4 | C5 | C6 | O5 | 61.1° | 61.3° |
| C4 | C5 | C6 | H6 | 54.8° | 53.8° |
| H261 | C26 | H262 | H263 | 110.3° | 115.9° |
| C5 | C6 | O5 | H6 | 116.0° | 115.4° |
| C5 | C6 | O5 | C12 | 178.9° | 163.1° |
| C6 | O5 | C12 | O12 | 157.9° | 170.1° |
| H6 | C6 | O5 | C12 | 62.9° | 81.5° |
| H311 | C31 | H312 | H313 | 119.3° | 114.0° |
| O9 | C32 | O10 | C33 | 180.0° | 179.9° |
| O9 | C32 | C33 | H331 | 180.0° | 60.1° |
| O9 | C32 | C33 | H332 | 54.7° | 179.1° |
| O9 | C32 | C33 | H333 | 54.7° | 61.8° |
| O10 | C32 | C33 | H331 | 0.0° | 119.8° |
| O10 | C32 | C33 | H332 | 125.3° | 0.8° |
| O10 | C32 | C33 | H333 | 125.3° | 118.3° |
| C32 | C33 | H331 | H332 | 125.3° | 119.5° |
| C32 | C33 | H331 | H333 | 125.3° | 121.3° |
| C32 | C33 | H332 | H333 | 117.9° | 119.8° |
| H331 | C33 | H332 | H333 | 117.9° | 120.4° |
| O7 | C27 | O8 | C28 | 179.9° | 176.6° |
| O7 | C27 | C28 | C29 | 148.1° | 158.1° |
| O7 | C27 | C28 | H281 | 86.7° | 32.0° |
| O7 | C27 | C28 | H282 | 22.8° | 83.2° |
| O8 | C27 | C28 | C29 | 31.9° | 24.9° |
| O8 | C27 | C28 | H281 | 93.4° | 151.0° |
| O8 | C27 | C28 | H282 | 157.1° | 93.8° |
| C27 | C28 | C29 | H281 | 125.2° | 124.4° |
| C27 | C28 | C29 | H282 | 125.3° | 117.8° |
| C27 | C28 | H281 | H282 | 117.8° | 114.1° |
| C27 | C28 | C29 | C30 | 119.0° | 150.8° |
| C27 | C28 | C29 | H291 | 6.2° | 89.6° |
| C27 | C28 | C29 | H292 | 115.7° | 27.2° |
| C29 | C28 | H281 | H282 | 117.7° | 117.6° |
| C28 | C29 | C30 | H291 | 125.3° | 119.4° |
| C28 | C29 | C30 | H292 | 125.2° | 123.8° |
| C28 | C29 | H291 | H292 | 119.1° | 119.1° |
| C28 | C29 | C30 | C45 | 145.4° | 114.0° |
| C28 | C29 | C30 | H301 | 20.2° | 5.9° |
| C28 | C29 | C30 | H302 | 89.3° | 122.5° |
| H281 | C28 | C29 | C30 | 115.7° | 26.4° |
| H281 | C28 | C29 | H291 | 119.0° | 145.9° |
| H281 | C28 | C29 | H292 | 9.5° | 97.3° |
| H282 | C28 | C29 | C30 | 6.2° | 91.3° |
| H282 | C28 | C29 | H291 | 131.5° | 28.2° |
| H282 | C28 | C29 | H292 | 119.0° | 145.0° |
| C30 | C29 | H291 | H292 | 119.1° | 119.0° |
| C29 | C30 | C45 | H301 | 125.3° | 121.3° |
| C29 | C30 | C45 | H302 | 125.3° | 123.5° |
| C29 | C30 | H301 | H302 | 117.4° | 118.7° |
| C29 | C30 | C45 | C46 | 90.5° | 110.9° |
| C29 | C30 | C45 | H451 | 144.3° | 9.8° |
| C29 | C30 | C45 | H452 | 34.8° | 125.6° |
| H291 | C29 | C30 | C45 | 89.3° | 126.6° |
| H291 | C29 | C30 | H301 | 145.4° | 113.4° |
| H291 | C29 | C30 | H302 | 36.0° | 3.1° |
| H292 | C29 | C30 | C45 | 20.2° | 9.8° |
| H292 | C29 | C30 | H301 | 105.1° | 129.7° |
| H292 | C29 | C30 | H302 | 145.5° | 113.7° |
| C45 | C30 | H301 | H302 | 117.4° | 117.4° |
| C30 | C45 | C46 | C47 | 107.1° | 127.0° |
| C30 | C45 | C46 | H451 | 125.3° | 120.0° |
| C30 | C45 | C46 | H452 | 125.3° | 123.4° |
| C30 | C45 | C46 | H461 | 127.7° | 112.2° |
| C30 | C45 | C46 | H462 | 18.1° | 5.8° |
| C30 | C45 | H451 | H452 | 117.5° | 117.9° |
| H301 | C30 | C45 | C46 | 34.8° | 10.4° |
| H301 | C30 | C45 | H451 | 90.5° | 131.0° |
| H301 | C30 | C45 | H452 | 160.0° | 113.1° |
| H302 | C30 | C45 | C46 | 144.3° | 125.6° |
| H302 | C30 | C45 | H451 | 19.0° | 113.7° |
| H302 | C30 | C45 | H452 | 90.5° | 2.1° |
| C56 | C57 | H571 | H572 | 125.3° | 123.2° |
| C56 | C57 | H571 | H573 | 125.3° | 120.4° |
| C56 | C57 | H572 | H573 | 118.4° | 122.3° |
| C57 | C56 | C55 | C54 | 119.6° | 120.4° |
| C57 | C56 | C55 | O2T | 117.0° | 114.9° |
| C57 | C56 | C54 | O2T | 117.5° | 115.1° |
| C57 | C56 | C55 | H551 | 180.0° | 177.0° |
| C57 | C56 | C55 | H552 | 54.7° | 64.3° |
| C57 | C56 | C55 | H553 | 54.7° | 56.6° |
| C57 | C56 | C54 | H541 | 180.0° | 65.0° |
| C57 | C56 | C54 | H542 | 54.7° | 55.9° |
| C57 | C56 | C54 | H543 | 54.8° | 176.1° |
| C57 | C56 | O2T | C53 | 177.8° | 179.4° |
| H571 | C57 | H572 | H573 | 118.4° | 115.1° |
| H571 | C57 | C56 | C55 | 180.0° | 176.6° |
| H571 | C57 | C56 | C54 | 59.5° | 61.0° |
| H571 | C57 | C56 | O2T | 60.7° | 58.0° |
| H572 | C57 | C56 | C55 | 54.7° | 62.2° |
| H572 | C57 | C56 | C54 | 65.7° | 60.2° |
| H572 | C57 | C56 | O2T | 174.1° | 179.3° |
| H573 | C57 | C56 | C55 | 54.8° | 58.7° |
| H573 | C57 | C56 | C54 | 175.2° | 178.9° |
| H573 | C57 | C56 | O2T | 64.6° | 59.8° |
| C55 | C56 | C54 | O2T | 123.1° | 124.5° |
| C56 | C55 | H551 | H552 | 125.2° | 121.2° |
| C56 | C55 | H551 | H553 | 125.3° | 122.6° |
| C56 | C55 | H552 | H553 | 118.4° | 122.6° |
| C55 | C56 | C54 | H541 | 60.6° | 174.6° |
| C55 | C56 | C54 | H542 | 64.7° | 64.5° |
| C55 | C56 | C54 | H543 | 174.1° | 55.7° |
| C55 | C56 | O2T | C53 | 64.1° | 63.3° |
| C54 | C56 | C55 | H551 | 60.5° | 56.6° |
| C54 | C56 | C55 | H552 | 174.3° | 175.3° |
| C54 | C56 | C55 | H553 | 64.8° | 63.8° |
| C56 | C54 | H541 | H542 | 125.3° | 122.5° |
| C56 | C54 | H541 | H543 | 125.2° | 122.0° |
| C56 | C54 | H542 | H543 | 118.3° | 122.8° |
| C54 | C56 | O2T | C53 | 59.0° | 61.9° |
| O2T | C56 | C55 | H551 | 62.9° | 68.1° |
| O2T | C56 | C55 | H552 | 62.3° | 50.6° |
| O2T | C56 | C55 | H553 | 171.8° | 171.6° |
| O2T | C56 | C54 | H541 | 62.4° | 50.1° |
| O2T | C56 | C54 | H542 | 172.3° | 171.0° |
| O2T | C56 | C54 | H543 | 62.8° | 68.8° |
| C56 | O2T | C53 | O1T | 23.8° | 1.0° |
| C56 | O2T | C53 | N1T | 156.8° | 178.7° |
| H551 | C55 | H552 | H553 | 118.5° | 115.5° |
| H541 | C54 | H542 | H543 | 118.3° | 115.0° |
| O2T | C53 | O1T | N1T | 179.4° | 179.6° |
| O2T | C53 | N1T | C52 | 106.9° | 179.5° |
| O2T | C53 | N1T | H1T | 73.1° | 0.2° |
| O1T | C53 | N1T | C52 | 72.5° | 0.2° |
| O1T | C53 | N1T | H1T | 107.5° | 179.9° |
| C53 | N1T | C52 | H1T | 180.0° | 179.7° |
| C53 | N1T | C52 | C51 | 154.0° | 140.4° |
| C53 | N1T | C52 | H521 | 28.7° | 95.9° |
| C53 | N1T | C52 | H522 | 80.7° | 20.8° |
| N1T | C52 | C51 | H521 | 125.3° | 123.1° |
| N1T | C52 | C51 | H522 | 125.3° | 117.8° |
| N1T | C52 | H521 | H522 | 118.6° | 115.6° |
| N1T | C52 | C51 | C50 | 118.7° | 132.1° |
| N1T | C52 | C51 | H511 | 116.0° | 107.4° |
| N1T | C52 | C51 | H512 | 6.5° | 9.1° |
| H1T | N1T | C52 | C51 | 26.0° | 39.9° |
| H1T | N1T | C52 | H521 | 151.2° | 83.8° |
| H1T | N1T | C52 | H522 | 99.3° | 159.5° |
| C51 | C52 | H521 | H522 | 118.6° | 120.0° |
| C52 | C51 | C50 | H511 | 125.3° | 120.4° |
| C52 | C51 | C50 | H512 | 125.3° | 122.3° |
| C52 | C51 | H511 | H512 | 117.8° | 117.7° |
| C52 | C51 | C50 | C49 | 150.2° | 122.5° |
| C52 | C51 | C50 | H501 | 84.5° | 0.8° |
| C52 | C51 | C50 | H502 | 24.9° | 117.0° |
| H521 | C52 | C51 | C50 | 6.5° | 9.0° |
| H521 | C52 | C51 | H511 | 118.7° | 129.5° |
| H521 | C52 | C51 | H512 | 131.8° | 114.0° |
| H522 | C52 | C51 | C50 | 116.0° | 110.1° |
| H522 | C52 | C51 | H511 | 9.3° | 10.4° |
| H522 | C52 | C51 | H512 | 118.7° | 126.9° |
| C50 | C51 | H511 | H512 | 117.8° | 119.3° |
| C51 | C50 | C49 | H501 | 125.3° | 123.9° |
| C51 | C50 | C49 | H502 | 125.3° | 121.0° |
| C51 | C50 | H501 | H502 | 117.4° | 118.0° |
| C51 | C50 | C49 | C48 | 96.8° | 119.9° |
| C51 | C50 | C49 | H491 | 28.5° | 117.8° |
| C51 | C50 | C49 | H492 | 137.9° | 2.6° |
| H511 | C51 | C50 | C49 | 24.9° | 117.1° |
| H511 | C51 | C50 | H501 | 150.2° | 119.6° |
| H511 | C51 | C50 | H502 | 100.4° | 3.4° |
| H512 | C51 | C50 | C49 | 84.6° | 0.3° |
| H512 | C51 | C50 | H501 | 40.7° | 123.0° |
| H512 | C51 | C50 | H502 | 150.1° | 120.8° |
| C49 | C50 | H501 | H502 | 117.5° | 116.4° |
| C50 | C49 | C48 | H491 | 125.3° | 122.0° |
| C50 | C49 | C48 | H492 | 125.3° | 122.8° |
| C50 | C49 | H491 | H492 | 117.6° | 117.0° |
| C50 | C49 | C48 | C47 | 130.1° | 123.3° |
| C50 | C49 | C48 | H481 | 4.9° | 2.1° |
| C50 | C49 | C48 | H482 | 104.6° | 113.5° |
| H501 | C50 | C49 | C48 | 137.9° | 3.9° |
| H501 | C50 | C49 | H491 | 96.8° | 118.3° |
| H501 | C50 | C49 | H492 | 12.6° | 126.4° |
| H502 | C50 | C49 | C48 | 28.4° | 119.1° |
| H502 | C50 | C49 | H491 | 153.7° | 3.1° |
| H502 | C50 | C49 | H492 | 96.8° | 118.4° |
| C48 | C49 | H491 | H492 | 117.7° | 116.6° |
| C49 | C48 | C47 | H481 | 125.3° | 120.7° |
| C49 | C48 | C47 | H482 | 125.3° | 123.2° |
| C49 | C48 | H481 | H482 | 117.3° | 117.9° |
| C49 | C48 | C47 | C46 | 101.4° | 117.3° |
| C49 | C48 | C47 | H471 | 23.8° | 4.4° |
| C49 | C48 | C47 | H472 | 133.3° | 122.1° |
| H491 | C49 | C48 | C47 | 104.6° | 114.7° |
| H491 | C49 | C48 | H481 | 130.1° | 124.1° |
| H491 | C49 | C48 | H482 | 20.7° | 8.5° |
| H492 | C49 | C48 | C47 | 4.9° | 0.5° |
| H492 | C49 | C48 | H481 | 120.4° | 120.7° |
| H492 | C49 | C48 | H482 | 130.2° | 123.8° |
| C47 | C48 | H481 | H482 | 117.4° | 118.3° |
| C48 | C47 | C46 | H471 | 125.3° | 121.8° |
| C48 | C47 | C46 | H472 | 125.3° | 121.3° |
| C48 | C47 | H471 | H472 | 117.3° | 119.3° |
| C48 | C47 | C46 | C45 | 148.7° | 123.2° |
| C48 | C47 | C46 | H461 | 86.1° | 115.9° |
| C48 | C47 | C46 | H462 | 23.5° | 1.5° |
| H481 | C48 | C47 | C46 | 133.3° | 3.4° |
| H481 | C48 | C47 | H471 | 101.4° | 125.1° |
| H481 | C48 | C47 | H472 | 8.1° | 117.3° |
| H482 | C48 | C47 | C46 | 23.9° | 119.4° |
| H482 | C48 | C47 | H471 | 149.1° | 118.8° |
| H482 | C48 | C47 | H472 | 101.4° | 1.2° |
| C46 | C47 | H471 | H472 | 117.2° | 117.8° |
| C47 | C46 | C45 | H461 | 125.2° | 120.8° |
| C47 | C46 | C45 | H462 | 125.2° | 121.2° |
| C47 | C46 | H461 | H462 | 117.3° | 118.7° |
| C47 | C46 | C45 | H451 | 18.2° | 113.0° |
| C47 | C46 | C45 | H452 | 127.6° | 3.6° |
| H471 | C47 | C46 | C45 | 86.0° | 1.4° |
| H471 | C47 | C46 | H461 | 39.2° | 122.3° |
| H471 | C47 | C46 | H462 | 148.7° | 120.3° |
| H472 | C47 | C46 | C45 | 23.4° | 115.5° |
| H472 | C47 | C46 | H461 | 148.6° | 5.4° |
| H472 | C47 | C46 | H462 | 101.8° | 122.8° |
| C45 | C46 | H461 | H462 | 117.3° | 119.7° |
| C46 | C45 | H451 | H452 | 117.5° | 118.7° |
| H461 | C46 | C45 | H451 | 107.1° | 7.8° |
| H461 | C46 | C45 | H452 | 2.4° | 124.4° |
| H462 | C46 | C45 | H451 | 143.4° | 125.8° |
| H462 | C46 | C45 | H452 | 107.1° | 117.6° |
