SQD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C44 | sing | 1.42Å | 1.38Å | |
| O6 | C1 | sing | 1.43Å | 1.43Å | |
| C44 | C45 | sing | 1.52Å | 1.53Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | C46 | sing | 1.52Å | 1.52Å | |
| C45 | O47 | sing | 1.43Å | 1.43Å | |
| C45 | H45 | sing | 1.10Å | 1.10Å | |
| C46 | O48 | sing | 1.43Å | 1.41Å | |
| C46 | H461 | sing | 1.10Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| O47 | C7 | sing | 1.36Å | 1.43Å | |
| C7 | O49 | doub | 1.22Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 230.16Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| C10 | H101 | sing | 1.10Å | 0.00Å | |
| C10 | H102 | sing | 1.10Å | 0.00Å | |
| C11 | C12 | sing | 1.53Å | 0.00Å | |
| C11 | H111 | sing | 1.09Å | 0.00Å | |
| C11 | H112 | sing | 1.10Å | 0.00Å | |
| C12 | C13 | sing | 1.53Å | 0.00Å | |
| C12 | H121 | sing | 1.10Å | 0.00Å | |
| C12 | H122 | sing | 1.10Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C13 | H131 | sing | 1.10Å | 0.00Å | |
| C13 | H132 | sing | 1.10Å | 0.00Å | |
| C14 | C15 | sing | 1.53Å | 0.00Å | |
| C14 | H141 | sing | 1.10Å | 0.00Å | |
| C14 | H142 | sing | 1.10Å | 0.00Å | |
| C15 | C16 | sing | 1.53Å | 0.00Å | |
| C15 | H151 | sing | 1.10Å | 0.00Å | |
| C15 | H152 | sing | 1.10Å | 0.00Å | |
| C16 | C17 | sing | 1.53Å | 0.00Å | |
| C16 | H161 | sing | 1.10Å | 0.00Å | |
| C16 | H162 | sing | 1.10Å | 0.00Å | |
| C17 | C18 | sing | 1.53Å | 0.00Å | |
| C17 | H171 | sing | 1.10Å | 0.00Å | |
| C17 | H172 | sing | 1.10Å | 0.00Å | |
| C18 | C19 | sing | 1.53Å | 0.00Å | |
| C18 | H181 | sing | 1.10Å | 0.00Å | |
| C18 | H182 | sing | 1.10Å | 0.00Å | |
| C19 | C20 | sing | 1.53Å | 0.00Å | |
| C19 | H191 | sing | 1.10Å | 0.00Å | |
| C19 | H192 | sing | 1.10Å | 0.00Å | |
| C20 | C21 | sing | 1.53Å | 0.00Å | |
| C20 | H201 | sing | 1.10Å | 0.00Å | |
| C20 | H202 | sing | 1.10Å | 0.00Å | |
| C21 | C22 | sing | 1.52Å | 0.00Å | |
| C21 | H211 | sing | 1.10Å | 0.00Å | |
| C21 | H212 | sing | 1.10Å | 0.00Å | |
| C22 | H221 | sing | 1.09Å | 0.00Å | |
| C22 | H222 | sing | 1.10Å | 0.00Å | |
| C22 | H223 | sing | 1.09Å | 0.00Å | |
| O48 | C23 | sing | 1.36Å | 1.41Å | |
| C23 | O10 | doub | 1.22Å | 1.23Å | |
| C23 | C24 | sing | 1.51Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.56Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 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 | 1.53Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | H291 | sing | 1.10Å | 1.10Å | |
| C29 | H292 | sing | 1.10Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 220.86Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 0.00Å | |
| C31 | H311 | sing | 1.10Å | 0.00Å | |
| C31 | H312 | sing | 1.10Å | 0.00Å | |
| C32 | C33 | sing | 1.53Å | 0.00Å | |
| C32 | H321 | sing | 1.10Å | 0.00Å | |
| C32 | H322 | sing | 1.10Å | 0.00Å | |
| C33 | C34 | sing | 1.53Å | 0.00Å | |
| C33 | H331 | sing | 1.10Å | 0.00Å | |
| C33 | H332 | sing | 1.10Å | 0.00Å | |
| C34 | C35 | sing | 1.53Å | 0.00Å | |
| C34 | H341 | sing | 1.10Å | 0.00Å | |
| C34 | H342 | sing | 1.10Å | 0.00Å | |
| C35 | C36 | sing | 1.53Å | 0.00Å | |
| C35 | H351 | sing | 1.10Å | 0.00Å | |
| C35 | H352 | sing | 1.10Å | 0.00Å | |
| C36 | C37 | sing | 1.53Å | 0.00Å | |
| C36 | H361 | sing | 1.10Å | 0.00Å | |
| C36 | H362 | sing | 1.10Å | 0.00Å | |
| C37 | C38 | sing | 1.52Å | 0.00Å | |
| C37 | H371 | sing | 1.10Å | 0.00Å | |
| C37 | H372 | sing | 1.10Å | 0.00Å | |
| C38 | H381 | sing | 1.09Å | 0.00Å | |
| C38 | H382 | sing | 1.10Å | 0.00Å | |
| C38 | H383 | sing | 1.09Å | 0.00Å | |
| C1 | C2 | sing | 1.53Å | 1.59Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.69Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.39Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.39Å | |
| C5 | O5 | sing | 1.43Å | 1.51Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C6 | S | sing | 1.76Å | 1.81Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| S | O7 | doub | 1.45Å | 1.57Å | |
| S | O8 | sing | 1.63Å | 1.55Å | |
| S | O9 | doub | 1.45Å | 1.43Å | |
| O8 | HO8 | sing | 0.99Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | O6 | C1 | 119.9° | 111.4° |
| O6 | C44 | C45 | 106.1° | 109.8° |
| O6 | C44 | H441 | 110.6° | 108.0° |
| O6 | C44 | H442 | 111.3° | 107.3° |
| O6 | C1 | C2 | 119.7° | 107.9° |
| O6 | C1 | O5 | 130.5° | 109.7° |
| O6 | C1 | H1 | 45.3° | 106.9° |
| C45 | C44 | H441 | 110.6° | 111.6° |
| C45 | C44 | H442 | 111.3° | 111.1° |
| C44 | C45 | C46 | 110.9° | 111.4° |
| C44 | C45 | O47 | 112.0° | 108.7° |
| C44 | C45 | H45 | 105.7° | 111.2° |
| H441 | C44 | H442 | 106.9° | 108.8° |
| C46 | C45 | O47 | 106.1° | 107.9° |
| C46 | C45 | H45 | 111.7° | 110.6° |
| C45 | C46 | O48 | 111.0° | 109.0° |
| C45 | C46 | H461 | 109.0° | 111.3° |
| C45 | C46 | H462 | 108.6° | 111.1° |
| O47 | C45 | H45 | 110.5° | 106.7° |
| C45 | O47 | C7 | 118.2° | 115.7° |
| O48 | C46 | H461 | 109.0° | 107.9° |
| O48 | C46 | H462 | 108.6° | 108.0° |
| C46 | O48 | C23 | 115.2° | 115.7° |
| H461 | C46 | H462 | 110.7° | 109.5° |
| O47 | C7 | O49 | 121.7° | 126.0° |
| O47 | C7 | C8 | 117.7° | 109.9° |
| O49 | C7 | C8 | 120.6° | 124.1° |
| C7 | C8 | C9 | 111.1° | 112.3° |
| C7 | C8 | H81 | 108.9° | 107.4° |
| C7 | C8 | H82 | 108.6° | 110.1° |
| C9 | C8 | H81 | 108.9° | 110.2° |
| C9 | C8 | H82 | 108.5° | 110.3° |
| C8 | C9 | C10 | 130.9° | 115.2° |
| C8 | C9 | H91 | 102.9° | 109.2° |
| C8 | C9 | H92 | 97.9° | 108.5° |
| H81 | C8 | H82 | 110.8° | 106.4° |
| C10 | C9 | H91 | 102.9° | 108.1° |
| C10 | C9 | H92 | 97.9° | 109.0° |
| C9 | C10 | C11 | 90.0° | 113.8° |
| C9 | C10 | H101 | 90.0° | 109.6° |
| C9 | C10 | H102 | 90.0° | 108.2° |
| H91 | C9 | H92 | 128.4° | 106.4° |
| C11 | C10 | H101 | 90.0° | 109.4° |
| C11 | C10 | H102 | 90.0° | 109.3° |
| C10 | C11 | C12 | 90.0° | 111.1° |
| C10 | C11 | H111 | 90.0° | 109.2° |
| C10 | C11 | H112 | 90.0° | 109.8° |
| H101 | C10 | H102 | 90.0° | 106.3° |
| C12 | C11 | H111 | 90.0° | 109.5° |
| C12 | C11 | H112 | 90.0° | 109.7° |
| C11 | C12 | C13 | 90.0° | 113.6° |
| C11 | C12 | H121 | 90.0° | 109.8° |
| C11 | C12 | H122 | 90.0° | 109.1° |
| H111 | C11 | H112 | 90.0° | 107.4° |
| C13 | C12 | H121 | 90.0° | 109.7° |
| C13 | C12 | H122 | 90.0° | 108.3° |
| C12 | C13 | C14 | 90.0° | 115.9° |
| C12 | C13 | H131 | 90.0° | 108.9° |
| C12 | C13 | H132 | 90.0° | 108.3° |
| H121 | C12 | H122 | 90.0° | 106.1° |
| C14 | C13 | H131 | 90.0° | 108.3° |
| C14 | C13 | H132 | 90.0° | 108.7° |
| C13 | C14 | C15 | 90.0° | 113.7° |
| C13 | C14 | H141 | 90.0° | 108.1° |
| C13 | C14 | H142 | 90.0° | 109.8° |
| H131 | C13 | H132 | 90.0° | 106.3° |
| C15 | C14 | H141 | 90.0° | 109.1° |
| C15 | C14 | H142 | 90.0° | 109.8° |
| C14 | C15 | C16 | 90.0° | 111.3° |
| C14 | C15 | H151 | 90.0° | 109.6° |
| C14 | C15 | H152 | 90.0° | 110.1° |
| H141 | C14 | H142 | 90.0° | 106.1° |
| C16 | C15 | H151 | 90.0° | 109.8° |
| C16 | C15 | H152 | 90.0° | 108.7° |
| C15 | C16 | C17 | 90.0° | 111.2° |
| C15 | C16 | H161 | 90.0° | 109.5° |
| C15 | C16 | H162 | 90.0° | 109.7° |
| H151 | C15 | H152 | 90.0° | 107.3° |
| C17 | C16 | H161 | 90.0° | 109.6° |
| C17 | C16 | H162 | 90.0° | 109.6° |
| C16 | C17 | C18 | 90.0° | 111.2° |
| C16 | C17 | H171 | 90.0° | 109.6° |
| C16 | C17 | H172 | 90.0° | 109.0° |
| H161 | C16 | H162 | 90.0° | 107.3° |
| C18 | C17 | H171 | 90.0° | 109.6° |
| C18 | C17 | H172 | 90.0° | 110.2° |
| C17 | C18 | C19 | 90.0° | 113.5° |
| C17 | C18 | H181 | 90.0° | 109.8° |
| C17 | C18 | H182 | 90.0° | 109.0° |
| H171 | C17 | H172 | 90.0° | 107.3° |
| C19 | C18 | H181 | 90.0° | 109.6° |
| C19 | C18 | H182 | 90.0° | 108.0° |
| C18 | C19 | C20 | 90.0° | 113.4° |
| C18 | C19 | H191 | 90.0° | 107.5° |
| C18 | C19 | H192 | 90.0° | 109.6° |
| H181 | C18 | H182 | 90.0° | 106.7° |
| C20 | C19 | H191 | 90.0° | 109.5° |
| C20 | C19 | H192 | 90.0° | 109.8° |
| C19 | C20 | C21 | 90.0° | 113.3° |
| C19 | C20 | H201 | 90.0° | 109.6° |
| C19 | C20 | H202 | 90.0° | 109.8° |
| H191 | C19 | H192 | 90.0° | 106.8° |
| C21 | C20 | H201 | 90.0° | 107.6° |
| C21 | C20 | H202 | 90.0° | 109.6° |
| C20 | C21 | C22 | 90.0° | 113.6° |
| C20 | C21 | H211 | 90.0° | 108.4° |
| C20 | C21 | H212 | 90.0° | 109.9° |
| H201 | C20 | H202 | 90.0° | 106.9° |
| C22 | C21 | H211 | 90.0° | 108.4° |
| C22 | C21 | H212 | 90.0° | 109.5° |
| C21 | C22 | H221 | 90.0° | 111.0° |
| C21 | C22 | H222 | 90.0° | 110.0° |
| C21 | C22 | H223 | 90.0° | 111.6° |
| H211 | C21 | H212 | 90.0° | 106.8° |
| H221 | C22 | H222 | 90.0° | 108.0° |
| H221 | C22 | H223 | 90.0° | 108.5° |
| H222 | C22 | H223 | 90.0° | 107.5° |
| O48 | C23 | O10 | 118.6° | 126.1° |
| O48 | C23 | C24 | 122.8° | 109.9° |
| O10 | C23 | C24 | 118.5° | 124.0° |
| C23 | C24 | C25 | 135.7° | 112.4° |
| C23 | C24 | H241 | 101.5° | 107.4° |
| C23 | C24 | H242 | 95.5° | 110.1° |
| C25 | C24 | H241 | 101.5° | 110.1° |
| C25 | C24 | H242 | 95.6° | 110.2° |
| C24 | C25 | C26 | 113.6° | 115.3° |
| C24 | C25 | H251 | 108.1° | 109.2° |
| C24 | C25 | H252 | 107.2° | 108.5° |
| H241 | C24 | H242 | 133.2° | 106.3° |
| C26 | C25 | H251 | 108.1° | 108.1° |
| C26 | C25 | H252 | 107.2° | 109.0° |
| C25 | C26 | C27 | 116.4° | 113.8° |
| C25 | C26 | H261 | 107.2° | 109.5° |
| C25 | C26 | H262 | 105.6° | 108.2° |
| H251 | C25 | H252 | 112.7° | 106.5° |
| C27 | C26 | H261 | 107.2° | 109.4° |
| C27 | C26 | H262 | 105.6° | 109.3° |
| C26 | C27 | C28 | 112.6° | 111.1° |
| C26 | C27 | H271 | 108.4° | 109.3° |
| C26 | C27 | H272 | 107.7° | 109.8° |
| H261 | C26 | H262 | 115.1° | 106.3° |
| C28 | C27 | H271 | 108.4° | 109.5° |
| C28 | C27 | H272 | 107.7° | 109.7° |
| C27 | C28 | C29 | 111.6° | 113.5° |
| C27 | C28 | H281 | 108.8° | 109.9° |
| C27 | C28 | H282 | 108.3° | 109.1° |
| H271 | C27 | H272 | 112.0° | 107.3° |
| C29 | C28 | H281 | 108.8° | 109.7° |
| C29 | C28 | H282 | 108.3° | 108.2° |
| C28 | C29 | C30 | 114.3° | 115.9° |
| C28 | C29 | H291 | 107.9° | 109.0° |
| C28 | C29 | H292 | 106.8° | 108.3° |
| H281 | C28 | H282 | 111.2° | 106.2° |
| C30 | C29 | H291 | 107.9° | 108.4° |
| C30 | C29 | H292 | 106.8° | 108.7° |
| C29 | C30 | C31 | 164.0° | 113.7° |
| C29 | C30 | H301 | 94.0° | 108.0° |
| C29 | C30 | H302 | 88.0° | 109.9° |
| H291 | C29 | H292 | 113.3° | 106.3° |
| C31 | C30 | H301 | 94.0° | 109.1° |
| C31 | C30 | H302 | 88.0° | 109.8° |
| C30 | C31 | C32 | 90.0° | 111.3° |
| C30 | C31 | H311 | 90.0° | 109.6° |
| C30 | C31 | H312 | 90.0° | 110.1° |
| H301 | C30 | H302 | 164.4° | 106.0° |
| C32 | C31 | H311 | 90.0° | 109.7° |
| C32 | C31 | H312 | 90.0° | 108.7° |
| C31 | C32 | C33 | 90.0° | 111.2° |
| C31 | C32 | H321 | 90.0° | 109.4° |
| C31 | C32 | H322 | 90.0° | 109.7° |
| H311 | C31 | H312 | 90.0° | 107.3° |
| C33 | C32 | H321 | 90.0° | 109.6° |
| C33 | C32 | H322 | 90.0° | 109.7° |
| C32 | C33 | C34 | 90.0° | 111.2° |
| C32 | C33 | H331 | 90.0° | 109.6° |
| C32 | C33 | H332 | 90.0° | 109.0° |
| H321 | C32 | H322 | 90.0° | 107.2° |
| C34 | C33 | H331 | 90.0° | 109.5° |
| C34 | C33 | H332 | 90.0° | 110.2° |
| C33 | C34 | C35 | 90.0° | 113.5° |
| C33 | C34 | H341 | 90.0° | 109.8° |
| C33 | C34 | H342 | 90.0° | 108.9° |
| H331 | C33 | H332 | 90.0° | 107.3° |
| C35 | C34 | H341 | 90.0° | 109.7° |
| C35 | C34 | H342 | 90.0° | 108.0° |
| C34 | C35 | C36 | 90.0° | 113.4° |
| C34 | C35 | H351 | 90.0° | 107.5° |
| C34 | C35 | H352 | 90.0° | 109.6° |
| H341 | C34 | H342 | 90.0° | 106.7° |
| C36 | C35 | H351 | 90.0° | 109.5° |
| C36 | C35 | H352 | 90.0° | 109.8° |
| C35 | C36 | C37 | 90.0° | 113.3° |
| C35 | C36 | H361 | 90.0° | 109.6° |
| C35 | C36 | H362 | 90.0° | 109.8° |
| H351 | C35 | H352 | 90.0° | 106.8° |
| C37 | C36 | H361 | 90.0° | 107.5° |
| C37 | C36 | H362 | 90.0° | 109.6° |
| C36 | C37 | C38 | 90.0° | 113.6° |
| C36 | C37 | H371 | 90.0° | 108.3° |
| C36 | C37 | H372 | 90.0° | 109.9° |
| H361 | C36 | H362 | 90.0° | 106.8° |
| C38 | C37 | H371 | 90.0° | 108.4° |
| C38 | C37 | H372 | 90.0° | 109.5° |
| C37 | C38 | H381 | 90.0° | 111.1° |
| C37 | C38 | H382 | 90.0° | 110.0° |
| C37 | C38 | H383 | 90.0° | 111.6° |
| H371 | C37 | H372 | 90.0° | 106.8° |
| H381 | C38 | H382 | 90.0° | 108.0° |
| H381 | C38 | H383 | 90.0° | 108.5° |
| H382 | C38 | H383 | 90.0° | 107.5° |
| C2 | C1 | O5 | 109.6° | 110.5° |
| C2 | C1 | H1 | 146.3° | 111.7° |
| C1 | C2 | O2 | 106.3° | 108.3° |
| C1 | C2 | C3 | 110.4° | 111.4° |
| C1 | C2 | H2 | 110.7° | 110.6° |
| O5 | C1 | H1 | 94.4° | 110.0° |
| C1 | O5 | C5 | 111.3° | 112.6° |
| O2 | C2 | C3 | 108.5° | 109.4° |
| O2 | C2 | H2 | 112.4° | 106.8° |
| C2 | O2 | HO2 | 109.5° | 106.4° |
| C3 | C2 | H2 | 108.6° | 110.2° |
| C2 | C3 | O3 | 102.4° | 109.5° |
| C2 | C3 | C4 | 108.0° | 111.2° |
| C2 | C3 | H3 | 115.4° | 110.9° |
| O3 | C3 | C4 | 111.0° | 108.0° |
| O3 | C3 | H3 | 112.6° | 106.2° |
| C3 | O3 | HO3 | 109.5° | 106.3° |
| C4 | C3 | H3 | 107.4° | 110.8° |
| C3 | C4 | O4 | 111.2° | 109.3° |
| C3 | C4 | C5 | 106.7° | 110.8° |
| C3 | C4 | H4 | 112.6° | 109.5° |
| O4 | C4 | C5 | 115.7° | 109.3° |
| O4 | C4 | H4 | 102.9° | 107.4° |
| C4 | O4 | HO4 | 109.5° | 106.5° |
| C5 | C4 | H4 | 107.8° | 110.5° |
| C4 | C5 | C6 | 109.9° | 111.8° |
| C4 | C5 | O5 | 114.9° | 109.9° |
| C4 | C5 | H5 | 105.0° | 110.8° |
| C6 | C5 | O5 | 108.5° | 107.6° |
| C6 | C5 | H5 | 111.9° | 107.4° |
| C5 | C6 | S | 126.4° | 111.1° |
| C5 | C6 | H61 | 104.2° | 110.3° |
| C5 | C6 | H62 | 100.2° | 110.3° |
| O5 | C5 | H5 | 106.6° | 109.3° |
| S | C6 | H61 | 104.2° | 107.7° |
| S | C6 | H62 | 100.2° | 107.7° |
| C6 | S | O7 | 117.5° | 109.2° |
| C6 | S | O8 | 94.2° | 97.7° |
| C6 | S | O9 | 104.6° | 109.1° |
| H61 | C6 | H62 | 123.9° | 109.6° |
| O7 | S | O8 | 113.9° | 108.6° |
| O7 | S | O9 | 116.4° | 121.2° |
| O8 | S | O9 | 107.6° | 108.6° |
| S | O8 | HO8 | 109.5° | 115.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C44 | C45 | H441 | 120.0° | 119.8° |
| O6 | C44 | C45 | H442 | 121.3° | 118.6° |
| O6 | C44 | H441 | H442 | 121.4° | 116.1° |
| O6 | C44 | C45 | C46 | 159.6° | 59.8° |
| O6 | C44 | C45 | O47 | 41.2° | 178.7° |
| O6 | C44 | C45 | H45 | 79.2° | 64.1° |
| C44 | O6 | C1 | C2 | 164.7° | 180.0° |
| C44 | O6 | C1 | O5 | 22.2° | 59.5° |
| C44 | O6 | C1 | H1 | 23.1° | 59.7° |
| C1 | O6 | C44 | C45 | 144.4° | 178.1° |
| C1 | O6 | C44 | H441 | 95.6° | 60.0° |
| C1 | O6 | C44 | H442 | 23.1° | 57.1° |
| O6 | C1 | C2 | O5 | 174.5° | 120.0° |
| O6 | C1 | C2 | H1 | 52.7° | 117.2° |
| O6 | C1 | O5 | H1 | 30.4° | 117.3° |
| O6 | C1 | C2 | O2 | 5.7° | 65.8° |
| O6 | C1 | C2 | C3 | 111.8° | 173.9° |
| O6 | C1 | C2 | H2 | 128.1° | 50.9° |
| O6 | C1 | O5 | C5 | 114.6° | 178.9° |
| C45 | C44 | H441 | H442 | 121.4° | 123.0° |
| C44 | C45 | C46 | O47 | 121.9° | 119.4° |
| C44 | C45 | C46 | H45 | 117.6° | 124.3° |
| C44 | C45 | O47 | H45 | 117.6° | 120.1° |
| C44 | C45 | C46 | O48 | 62.4° | 178.8° |
| C44 | C45 | C46 | H461 | 177.5° | 60.0° |
| C44 | C45 | C46 | H462 | 56.9° | 62.3° |
| C44 | C45 | O47 | C7 | 108.3° | 60.0° |
| H441 | C44 | C45 | C46 | 80.4° | 60.0° |
| H441 | C44 | C45 | O47 | 161.2° | 58.9° |
| H441 | C44 | C45 | H45 | 40.8° | 176.1° |
| H442 | C44 | C45 | C46 | 38.3° | 178.4° |
| H442 | C44 | C45 | O47 | 80.1° | 62.8° |
| H442 | C44 | C45 | H45 | 159.5° | 54.4° |
| C46 | C45 | O47 | H45 | 121.2° | 118.9° |
| C45 | C46 | O48 | H461 | 120.0° | 120.9° |
| C45 | C46 | O48 | H462 | 119.4° | 120.8° |
| C45 | C46 | H461 | H462 | 119.4° | 123.2° |
| C46 | C45 | O47 | C7 | 130.6° | 179.0° |
| C45 | C46 | O48 | C23 | 126.7° | 180.0° |
| O47 | C45 | C46 | O48 | 59.4° | 59.4° |
| O47 | C45 | C46 | H461 | 60.6° | 59.4° |
| O47 | C45 | C46 | H462 | 178.7° | 178.3° |
| C45 | O47 | C7 | O49 | 9.3° | 0.1° |
| C45 | O47 | C7 | C8 | 171.4° | 179.9° |
| H45 | C45 | C46 | O48 | 179.9° | 56.9° |
| H45 | C45 | C46 | H461 | 59.9° | 175.7° |
| H45 | C45 | C46 | H462 | 60.8° | 62.0° |
| H45 | C45 | O47 | C7 | 9.3° | 60.1° |
| O48 | C46 | H461 | H462 | 119.3° | 117.3° |
| C46 | O48 | C23 | O10 | 49.6° | 0.0° |
| C46 | O48 | C23 | C24 | 130.8° | 179.9° |
| H461 | C46 | O48 | C23 | 6.6° | 59.1° |
| H462 | C46 | O48 | C23 | 114.0° | 59.2° |
| O47 | C7 | O49 | C8 | 179.3° | 179.9° |
| O47 | C7 | C8 | C9 | 58.8° | 148.6° |
| O47 | C7 | C8 | H81 | 61.2° | 90.1° |
| O47 | C7 | C8 | H82 | 178.1° | 25.3° |
| O49 | C7 | C8 | C9 | 121.9° | 31.3° |
| O49 | C7 | C8 | H81 | 118.1° | 89.9° |
| O49 | C7 | C8 | H82 | 2.6° | 154.6° |
| C7 | C8 | C9 | H81 | 120.0° | 119.7° |
| C7 | C8 | C9 | H82 | 119.3° | 123.2° |
| C7 | C8 | H81 | H82 | 119.3° | 117.9° |
| C7 | C8 | C9 | C10 | 108.9° | 61.9° |
| C7 | C8 | C9 | H91 | 131.1° | 60.0° |
| C7 | C8 | C9 | H92 | 1.3° | 175.6° |
| C9 | C8 | H81 | H82 | 119.3° | 119.5° |
| C8 | C9 | C10 | H91 | 120.0° | 122.4° |
| C8 | C9 | C10 | H92 | 107.6° | 122.3° |
| C8 | C9 | H91 | H92 | 111.1° | 117.0° |
| C8 | C9 | C10 | C11 | 90.0° | 177.2° |
| C8 | C9 | C10 | H101 | 90.0° | 60.0° |
| C8 | C9 | C10 | H102 | 90.0° | 55.5° |
| H81 | C8 | C9 | C10 | 11.1° | 178.5° |
| H81 | C8 | C9 | H91 | 108.9° | 59.7° |
| H81 | C8 | C9 | H92 | 118.7° | 55.9° |
| H82 | C8 | C9 | C10 | 131.8° | 61.4° |
| H82 | C8 | C9 | H91 | 11.8° | 176.8° |
| H82 | C8 | C9 | H92 | 120.6° | 61.2° |
| C10 | C9 | H91 | H92 | 111.1° | 117.0° |
| C9 | C10 | C11 | H101 | 90.0° | 122.9° |
| C9 | C10 | C11 | H102 | 90.0° | 121.1° |
| C9 | C10 | H101 | H102 | 90.0° | 116.7° |
| C9 | C10 | C11 | C12 | 90.0° | 179.1° |
| C9 | C10 | C11 | H111 | 90.0° | 59.9° |
| C9 | C10 | C11 | H112 | 90.0° | 57.6° |
| H91 | C9 | C10 | C11 | 90.0° | 54.7° |
| H91 | C9 | C10 | H101 | 90.0° | 177.6° |
| H91 | C9 | C10 | H102 | 90.0° | 66.9° |
| H92 | C9 | C10 | C11 | 90.0° | 60.5° |
| H92 | C9 | C10 | H101 | 90.0° | 62.3° |
| H92 | C9 | C10 | H102 | 90.0° | 177.8° |
| C11 | C10 | H101 | H102 | 90.0° | 117.9° |
| C10 | C11 | C12 | H111 | 90.0° | 120.8° |
| C10 | C11 | C12 | H112 | 90.0° | 121.6° |
| C10 | C11 | H111 | H112 | 90.0° | 119.1° |
| C10 | C11 | C12 | C13 | 90.0° | 176.7° |
| C10 | C11 | C12 | H121 | 90.0° | 60.0° |
| C10 | C11 | C12 | H122 | 90.0° | 55.8° |
| H101 | C10 | C11 | C12 | 90.0° | 57.9° |
| H101 | C10 | C11 | H111 | 90.0° | 63.0° |
| H101 | C10 | C11 | H112 | 90.0° | 179.4° |
| H102 | C10 | C11 | C12 | 90.0° | 58.1° |
| H102 | C10 | C11 | H111 | 90.0° | 179.0° |
| H102 | C10 | C11 | H112 | 90.0° | 63.4° |
| C12 | C11 | H111 | H112 | 90.0° | 119.0° |
| C11 | C12 | C13 | H121 | 90.0° | 123.3° |
| C11 | C12 | C13 | H122 | 90.0° | 121.3° |
| C11 | C12 | H121 | H122 | 90.0° | 117.8° |
| C11 | C12 | C13 | C14 | 90.0° | 177.6° |
| C11 | C12 | C13 | H131 | 90.0° | 59.9° |
| C11 | C12 | C13 | H132 | 90.0° | 55.2° |
| H111 | C11 | C12 | C13 | 90.0° | 62.5° |
| H111 | C11 | C12 | H121 | 90.0° | 60.7° |
| H111 | C11 | C12 | H122 | 90.0° | 176.6° |
| H112 | C11 | C12 | C13 | 90.0° | 55.1° |
| H112 | C11 | C12 | H121 | 90.0° | 178.4° |
| H112 | C11 | C12 | H122 | 90.0° | 65.7° |
| C13 | C12 | H121 | H122 | 90.0° | 116.8° |
| C12 | C13 | C14 | H131 | 90.0° | 122.7° |
| C12 | C13 | C14 | H132 | 90.0° | 122.2° |
| C12 | C13 | H131 | H132 | 90.0° | 116.5° |
| C12 | C13 | C14 | C15 | 90.0° | 178.7° |
| C12 | C13 | C14 | H141 | 90.0° | 60.0° |
| C12 | C13 | C14 | H142 | 90.0° | 55.3° |
| H121 | C12 | C13 | C14 | 90.0° | 59.1° |
| H121 | C12 | C13 | H131 | 90.0° | 63.4° |
| H121 | C12 | C13 | H132 | 90.0° | 178.5° |
| H122 | C12 | C13 | C14 | 90.0° | 56.3° |
| H122 | C12 | C13 | H131 | 90.0° | 178.7° |
| H122 | C12 | C13 | H132 | 90.0° | 66.1° |
| C14 | C13 | H131 | H132 | 90.0° | 116.7° |
| C13 | C14 | C15 | H141 | 90.0° | 120.7° |
| C13 | C14 | C15 | H142 | 90.0° | 123.5° |
| C13 | C14 | H141 | H142 | 90.0° | 117.7° |
| C13 | C14 | C15 | C16 | 90.0° | 178.4° |
| C13 | C14 | C15 | H151 | 90.0° | 60.0° |
| C13 | C14 | C15 | H152 | 90.0° | 57.8° |
| H131 | C13 | C14 | C15 | 90.0° | 58.6° |
| H131 | C13 | C14 | H141 | 90.0° | 62.7° |
| H131 | C13 | C14 | H142 | 90.0° | 178.0° |
| H132 | C13 | C14 | C15 | 90.0° | 56.5° |
| H132 | C13 | C14 | H141 | 90.0° | 177.8° |
| H132 | C13 | C14 | H142 | 90.0° | 66.9° |
| C15 | C14 | H141 | H142 | 90.0° | 118.2° |
| C14 | C15 | C16 | H151 | 90.0° | 121.5° |
| C14 | C15 | C16 | H152 | 90.0° | 121.4° |
| C14 | C15 | H151 | H152 | 90.0° | 119.6° |
| C14 | C15 | C16 | C17 | 90.0° | 178.6° |
| C14 | C15 | C16 | H161 | 90.0° | 57.4° |
| C14 | C15 | C16 | H162 | 90.0° | 60.1° |
| H141 | C14 | C15 | C16 | 90.0° | 60.9° |
| H141 | C14 | C15 | H151 | 90.0° | 60.7° |
| H141 | C14 | C15 | H152 | 90.0° | 178.5° |
| H142 | C14 | C15 | C16 | 90.0° | 55.0° |
| H142 | C14 | C15 | H151 | 90.0° | 176.5° |
| H142 | C14 | C15 | H152 | 90.0° | 65.6° |
| C16 | C15 | H151 | H152 | 90.0° | 118.0° |
| C15 | C16 | C17 | H161 | 90.0° | 121.1° |
| C15 | C16 | C17 | H162 | 90.0° | 121.4° |
| C15 | C16 | H161 | H162 | 90.0° | 118.9° |
| C15 | C16 | C17 | C18 | 90.0° | 178.8° |
| C15 | C16 | C17 | H171 | 90.0° | 59.9° |
| C15 | C16 | C17 | H172 | 90.0° | 57.2° |
| H151 | C15 | C16 | C17 | 90.0° | 60.0° |
| H151 | C15 | C16 | H161 | 90.0° | 178.8° |
| H151 | C15 | C16 | H162 | 90.0° | 61.4° |
| H152 | C15 | C16 | C17 | 90.0° | 57.1° |
| H152 | C15 | C16 | H161 | 90.0° | 64.1° |
| H152 | C15 | C16 | H162 | 90.0° | 178.5° |
| C17 | C16 | H161 | H162 | 90.0° | 118.9° |
| C16 | C17 | C18 | H171 | 90.0° | 121.3° |
| C16 | C17 | C18 | H172 | 90.0° | 120.9° |
| C16 | C17 | H171 | H172 | 90.0° | 118.1° |
| C16 | C17 | C18 | C19 | 90.0° | 178.7° |
| C16 | C17 | C18 | H181 | 90.0° | 55.6° |
| C16 | C17 | C18 | H182 | 90.0° | 60.9° |
| H161 | C16 | C17 | C18 | 90.0° | 60.0° |
| H161 | C16 | C17 | H171 | 90.0° | 61.3° |
| H161 | C16 | C17 | H172 | 90.0° | 178.4° |
| H162 | C16 | C17 | C18 | 90.0° | 57.4° |
| H162 | C16 | C17 | H171 | 90.0° | 178.7° |
| H162 | C16 | C17 | H172 | 90.0° | 64.2° |
| C18 | C17 | H171 | H172 | 90.0° | 119.6° |
| C17 | C18 | C19 | H181 | 90.0° | 123.2° |
| C17 | C18 | C19 | H182 | 90.0° | 120.9° |
| C17 | C18 | H181 | H182 | 90.0° | 118.0° |
| C17 | C18 | C19 | C20 | 90.0° | 176.8° |
| C17 | C18 | C19 | H191 | 90.0° | 55.6° |
| C17 | C18 | C19 | H192 | 90.0° | 60.1° |
| H171 | C17 | C18 | C19 | 90.0° | 60.0° |
| H171 | C17 | C18 | H181 | 90.0° | 176.9° |
| H171 | C17 | C18 | H182 | 90.0° | 60.4° |
| H172 | C17 | C18 | C19 | 90.0° | 57.8° |
| H172 | C17 | C18 | H181 | 90.0° | 65.3° |
| H172 | C17 | C18 | H182 | 90.0° | 178.2° |
| C19 | C18 | H181 | H182 | 90.0° | 116.7° |
| C18 | C19 | C20 | H191 | 90.0° | 120.1° |
| C18 | C19 | C20 | H192 | 90.0° | 122.9° |
| C18 | C19 | H191 | H192 | 90.0° | 117.5° |
| C18 | C19 | C20 | C21 | 90.0° | 179.9° |
| C18 | C19 | C20 | H201 | 90.0° | 59.8° |
| C18 | C19 | C20 | H202 | 90.0° | 57.3° |
| H181 | C18 | C19 | C20 | 90.0° | 60.0° |
| H181 | C18 | C19 | H191 | 90.0° | 178.8° |
| H181 | C18 | C19 | H192 | 90.0° | 63.1° |
| H182 | C18 | C19 | C20 | 90.0° | 55.9° |
| H182 | C18 | C19 | H191 | 90.0° | 65.4° |
| H182 | C18 | C19 | H192 | 90.0° | 179.0° |
| C20 | C19 | H191 | H192 | 90.0° | 118.8° |
| C19 | C20 | C21 | H201 | 90.0° | 121.2° |
| C19 | C20 | C21 | H202 | 90.0° | 122.9° |
| C19 | C20 | H201 | H202 | 90.0° | 118.9° |
| C19 | C20 | C21 | C22 | 90.0° | 178.7° |
| C19 | C20 | C21 | H211 | 90.0° | 60.7° |
| C19 | C20 | C21 | H212 | 90.0° | 55.6° |
| H191 | C19 | C20 | C21 | 90.0° | 60.0° |
| H191 | C19 | C20 | H201 | 90.0° | 179.9° |
| H191 | C19 | C20 | H202 | 90.0° | 62.8° |
| H192 | C19 | C20 | C21 | 90.0° | 56.9° |
| H192 | C19 | C20 | H201 | 90.0° | 63.1° |
| H192 | C19 | C20 | H202 | 90.0° | 179.8° |
| C21 | C20 | H201 | H202 | 90.0° | 117.6° |
| C20 | C21 | C22 | H211 | 90.0° | 120.6° |
| C20 | C21 | C22 | H212 | 90.0° | 123.3° |
| C20 | C21 | H211 | H212 | 90.0° | 118.4° |
| C20 | C21 | C22 | H221 | 90.0° | 54.6° |
| C20 | C21 | C22 | H222 | 90.0° | 174.0° |
| C20 | C21 | C22 | H223 | 90.0° | 66.7° |
| H201 | C20 | C21 | C22 | 90.0° | 60.1° |
| H201 | C20 | C21 | H211 | 90.0° | 60.5° |
| H201 | C20 | C21 | H212 | 90.0° | 176.9° |
| H202 | C20 | C21 | C22 | 90.0° | 55.8° |
| H202 | C20 | C21 | H211 | 90.0° | 176.3° |
| H202 | C20 | C21 | H212 | 90.0° | 67.3° |
| C22 | C21 | H211 | H212 | 90.0° | 117.8° |
| C21 | C22 | H221 | H222 | 90.0° | 120.7° |
| C21 | C22 | H221 | H223 | 90.0° | 123.0° |
| C21 | C22 | H222 | H223 | 90.0° | 121.7° |
| H211 | C21 | C22 | H221 | 90.0° | 66.0° |
| H211 | C21 | C22 | H222 | 90.0° | 53.5° |
| H211 | C21 | C22 | H223 | 90.0° | 172.8° |
| H212 | C21 | C22 | H221 | 90.0° | 177.9° |
| H212 | C21 | C22 | H222 | 90.0° | 62.6° |
| H212 | C21 | C22 | H223 | 90.0° | 56.7° |
| H221 | C22 | H222 | H223 | 90.0° | 116.9° |
| O48 | C23 | O10 | C24 | 179.6° | 179.9° |
| O48 | C23 | C24 | C25 | 138.8° | 178.6° |
| O48 | C23 | C24 | H241 | 18.8° | 60.1° |
| O48 | C23 | C24 | H242 | 117.3° | 55.2° |
| O10 | C23 | C24 | C25 | 40.7° | 1.3° |
| O10 | C23 | C24 | H241 | 160.7° | 120.0° |
| O10 | C23 | C24 | H242 | 63.1° | 124.6° |
| C23 | C24 | C25 | H241 | 120.0° | 119.8° |
| C23 | C24 | C25 | H242 | 103.8° | 123.2° |
| C23 | C24 | H241 | H242 | 109.1° | 117.9° |
| C23 | C24 | C25 | C26 | 179.8° | 178.2° |
| C23 | C24 | C25 | H251 | 59.8° | 60.0° |
| C23 | C24 | C25 | H252 | 62.1° | 55.7° |
| C25 | C24 | H241 | H242 | 109.1° | 119.4° |
| C24 | C25 | C26 | H251 | 120.0° | 122.4° |
| C24 | C25 | C26 | H252 | 118.2° | 122.3° |
| C24 | C25 | H251 | H252 | 118.3° | 117.0° |
| C24 | C25 | C26 | C27 | 117.5° | 177.2° |
| C24 | C25 | C26 | H261 | 122.5° | 60.0° |
| C24 | C25 | C26 | H262 | 0.7° | 55.5° |
| H241 | C24 | C25 | C26 | 60.2° | 58.4° |
| H241 | C24 | C25 | H251 | 179.8° | 179.8° |
| H241 | C24 | C25 | H252 | 57.9° | 64.1° |
| H242 | C24 | C25 | C26 | 75.9° | 58.6° |
| H242 | C24 | C25 | H251 | 44.1° | 63.2° |
| H242 | C24 | C25 | H252 | 165.9° | 178.9° |
| C26 | C25 | H251 | H252 | 118.3° | 117.0° |
| C25 | C26 | C27 | H261 | 120.0° | 122.9° |
| C25 | C26 | C27 | H262 | 116.8° | 121.1° |
| C25 | C26 | H261 | H262 | 117.1° | 116.7° |
| C25 | C26 | C27 | C28 | 119.6° | 179.2° |
| C25 | C26 | C27 | H271 | 120.4° | 59.9° |
| C25 | C26 | C27 | H272 | 0.9° | 57.6° |
| H251 | C25 | C26 | C27 | 2.5° | 54.7° |
| H251 | C25 | C26 | H261 | 117.5° | 177.5° |
| H251 | C25 | C26 | H262 | 119.3° | 66.9° |
| H252 | C25 | C26 | C27 | 124.3° | 60.6° |
| H252 | C25 | C26 | H261 | 4.3° | 62.2° |
| H252 | C25 | C26 | H262 | 118.9° | 177.8° |
| C27 | C26 | H261 | H262 | 117.1° | 117.9° |
| C26 | C27 | C28 | H271 | 120.0° | 120.8° |
| C26 | C27 | C28 | H272 | 118.6° | 121.7° |
| C26 | C27 | H271 | H272 | 118.7° | 119.1° |
| C26 | C27 | C28 | C29 | 170.5° | 176.7° |
| C26 | C27 | C28 | H281 | 69.5° | 60.1° |
| C26 | C27 | C28 | H282 | 51.4° | 55.9° |
| H261 | C26 | C27 | C28 | 0.4° | 57.9° |
| H261 | C26 | C27 | H271 | 119.6° | 63.0° |
| H261 | C26 | C27 | H272 | 119.1° | 179.5° |
| H262 | C26 | C27 | C28 | 123.6° | 58.1° |
| H262 | C26 | C27 | H271 | 3.6° | 179.0° |
| H262 | C26 | C27 | H272 | 117.7° | 63.5° |
| C28 | C27 | H271 | H272 | 118.7° | 119.0° |
| C27 | C28 | C29 | H281 | 120.0° | 123.3° |
| C27 | C28 | C29 | H282 | 119.1° | 121.2° |
| C27 | C28 | H281 | H282 | 119.1° | 117.8° |
| C27 | C28 | C29 | C30 | 151.0° | 177.6° |
| C27 | C28 | C29 | H291 | 89.0° | 60.0° |
| C27 | C28 | C29 | H292 | 33.2° | 55.2° |
| H271 | C27 | C28 | C29 | 50.5° | 62.5° |
| H271 | C27 | C28 | H281 | 170.5° | 60.7° |
| H271 | C27 | C28 | H282 | 68.6° | 176.7° |
| H272 | C27 | C28 | C29 | 70.9° | 55.0° |
| H272 | C27 | C28 | H281 | 49.1° | 178.2° |
| H272 | C27 | C28 | H282 | 170.0° | 65.7° |
| C29 | C28 | H281 | H282 | 119.1° | 116.8° |
| C28 | C29 | C30 | H291 | 120.0° | 122.8° |
| C28 | C29 | C30 | H292 | 117.9° | 122.1° |
| C28 | C29 | H291 | H292 | 118.0° | 116.5° |
| C28 | C29 | C30 | C31 | 87.1° | 178.8° |
| C28 | C29 | C30 | H301 | 152.9° | 60.0° |
| C28 | C29 | C30 | H302 | 11.7° | 55.2° |
| H281 | C28 | C29 | C30 | 31.0° | 59.1° |
| H281 | C28 | C29 | H291 | 151.0° | 63.3° |
| H281 | C28 | C29 | H292 | 86.9° | 178.5° |
| H282 | C28 | C29 | C30 | 89.9° | 56.3° |
| H282 | C28 | C29 | H291 | 30.1° | 178.8° |
| H282 | C28 | C29 | H292 | 152.2° | 66.0° |
| C30 | C29 | H291 | H292 | 118.0° | 116.6° |
| C29 | C30 | C31 | H301 | 120.0° | 120.6° |
| C29 | C30 | C31 | H302 | 75.5° | 123.6° |
| C29 | C30 | H301 | H302 | 96.9° | 117.7° |
| C29 | C30 | C31 | C32 | 90.0° | 178.5° |
| C29 | C30 | C31 | H311 | 90.0° | 60.0° |
| C29 | C30 | C31 | H312 | 90.0° | 57.9° |
| H291 | C29 | C30 | C31 | 32.8° | 58.5° |
| H291 | C29 | C30 | H301 | 87.2° | 62.8° |
| H291 | C29 | C30 | H302 | 108.3° | 178.0° |
| H292 | C29 | C30 | C31 | 155.0° | 56.6° |
| H292 | C29 | C30 | H301 | 35.0° | 177.8° |
| H292 | C29 | C30 | H302 | 129.5° | 66.9° |
| C31 | C30 | H301 | H302 | 96.9° | 118.2° |
| C30 | C31 | C32 | H311 | 90.0° | 121.5° |
| C30 | C31 | C32 | H312 | 90.0° | 121.5° |
| C30 | C31 | H311 | H312 | 90.0° | 119.5° |
| C30 | C31 | C32 | C33 | 90.0° | 178.5° |
| C30 | C31 | C32 | H321 | 90.0° | 57.3° |
| C30 | C31 | C32 | H322 | 90.0° | 60.0° |
| H301 | C30 | C31 | C32 | 90.0° | 60.9° |
| H301 | C30 | C31 | H311 | 90.0° | 60.6° |
| H301 | C30 | C31 | H312 | 90.0° | 178.5° |
| H302 | C30 | C31 | C32 | 90.0° | 54.9° |
| H302 | C30 | C31 | H311 | 90.0° | 176.5° |
| H302 | C30 | C31 | H312 | 90.0° | 65.7° |
| C32 | C31 | H311 | H312 | 90.0° | 118.0° |
| C31 | C32 | C33 | H321 | 90.0° | 121.1° |
| C31 | C32 | C33 | H322 | 90.0° | 121.5° |
| C31 | C32 | H321 | H322 | 90.0° | 118.9° |
| C31 | C32 | C33 | C34 | 90.0° | 178.9° |
| C31 | C32 | C33 | H331 | 90.0° | 59.9° |
| C31 | C32 | C33 | H332 | 90.0° | 57.2° |
| H311 | C31 | C32 | C33 | 90.0° | 60.0° |
| H311 | C31 | C32 | H321 | 90.0° | 178.8° |
| H311 | C31 | C32 | H322 | 90.0° | 61.5° |
| H312 | C31 | C32 | C33 | 90.0° | 57.1° |
| H312 | C31 | C32 | H321 | 90.0° | 64.1° |
| H312 | C31 | C32 | H322 | 90.0° | 178.6° |
| C33 | C32 | H321 | H322 | 90.0° | 118.9° |
| C32 | C33 | C34 | H331 | 90.0° | 121.2° |
| C32 | C33 | C34 | H332 | 90.0° | 121.0° |
| C32 | C33 | H331 | H332 | 90.0° | 118.2° |
| C32 | C33 | C34 | C35 | 90.0° | 178.7° |
| C32 | C33 | C34 | H341 | 90.0° | 55.6° |
| C32 | C33 | C34 | H342 | 90.0° | 60.9° |
| H321 | C32 | C33 | C34 | 90.0° | 60.0° |
| H321 | C32 | C33 | H331 | 90.0° | 61.2° |
| H321 | C32 | C33 | H332 | 90.0° | 178.3° |
| H322 | C32 | C33 | C34 | 90.0° | 57.4° |
| H322 | C32 | C33 | H331 | 90.0° | 178.6° |
| H322 | C32 | C33 | H332 | 90.0° | 64.3° |
| C34 | C33 | H331 | H332 | 90.0° | 119.6° |
| C33 | C34 | C35 | H341 | 90.0° | 123.2° |
| C33 | C34 | C35 | H342 | 90.0° | 120.9° |
| C33 | C34 | H341 | H342 | 90.0° | 117.9° |
| C33 | C34 | C35 | C36 | 90.0° | 176.8° |
| C33 | C34 | C35 | H351 | 90.0° | 55.6° |
| C33 | C34 | C35 | H352 | 90.0° | 60.1° |
| H331 | C33 | C34 | C35 | 90.0° | 60.0° |
| H331 | C33 | C34 | H341 | 90.0° | 176.9° |
| H331 | C33 | C34 | H342 | 90.0° | 60.3° |
| H332 | C33 | C34 | C35 | 90.0° | 57.8° |
| H332 | C33 | C34 | H341 | 90.0° | 65.4° |
| H332 | C33 | C34 | H342 | 90.0° | 178.1° |
| C35 | C34 | H341 | H342 | 90.0° | 116.8° |
| C34 | C35 | C36 | H351 | 90.0° | 120.1° |
| C34 | C35 | C36 | H352 | 90.0° | 122.9° |
| C34 | C35 | H351 | H352 | 90.0° | 117.6° |
| C34 | C35 | C36 | C37 | 90.0° | 179.9° |
| C34 | C35 | C36 | H361 | 90.0° | 59.8° |
| C34 | C35 | C36 | H362 | 90.0° | 57.3° |
| H341 | C34 | C35 | C36 | 90.0° | 60.0° |
| H341 | C34 | C35 | H351 | 90.0° | 178.8° |
| H341 | C34 | C35 | H352 | 90.0° | 63.0° |
| H342 | C34 | C35 | C36 | 90.0° | 56.0° |
| H342 | C34 | C35 | H351 | 90.0° | 65.3° |
| H342 | C34 | C35 | H352 | 90.0° | 179.0° |
| C36 | C35 | H351 | H352 | 90.0° | 118.8° |
| C35 | C36 | C37 | H361 | 90.0° | 121.2° |
| C35 | C36 | C37 | H362 | 90.0° | 123.0° |
| C35 | C36 | H361 | H362 | 90.0° | 118.9° |
| C35 | C36 | C37 | C38 | 90.0° | 178.8° |
| C35 | C36 | C37 | H371 | 90.0° | 60.7° |
| C35 | C36 | C37 | H372 | 90.0° | 55.6° |
| H351 | C35 | C36 | C37 | 90.0° | 60.0° |
| H351 | C35 | C36 | H361 | 90.0° | 179.9° |
| H351 | C35 | C36 | H362 | 90.0° | 62.8° |
| H352 | C35 | C36 | C37 | 90.0° | 57.0° |
| H352 | C35 | C36 | H361 | 90.0° | 63.1° |
| H352 | C35 | C36 | H362 | 90.0° | 179.8° |
| C37 | C36 | H361 | H362 | 90.0° | 117.6° |
| C36 | C37 | C38 | H371 | 90.0° | 120.5° |
| C36 | C37 | C38 | H372 | 90.0° | 123.3° |
| C36 | C37 | H371 | H372 | 90.0° | 118.3° |
| C36 | C37 | C38 | H381 | 90.0° | 54.5° |
| C36 | C37 | C38 | H382 | 90.0° | 174.1° |
| C36 | C37 | C38 | H383 | 90.0° | 66.7° |
| H361 | C36 | C37 | C38 | 90.0° | 60.0° |
| H361 | C36 | C37 | H371 | 90.0° | 60.5° |
| H361 | C36 | C37 | H372 | 90.0° | 176.9° |
| H362 | C36 | C37 | C38 | 90.0° | 55.8° |
| H362 | C36 | C37 | H371 | 90.0° | 176.3° |
| H362 | C36 | C37 | H372 | 90.0° | 67.3° |
| C38 | C37 | H371 | H372 | 90.0° | 117.9° |
| C37 | C38 | H381 | H382 | 90.0° | 120.8° |
| C37 | C38 | H381 | H383 | 90.0° | 123.0° |
| C37 | C38 | H382 | H383 | 90.0° | 121.7° |
| H371 | C37 | C38 | H381 | 90.0° | 66.0° |
| H371 | C37 | C38 | H382 | 90.0° | 53.6° |
| H371 | C37 | C38 | H383 | 90.0° | 172.8° |
| H372 | C37 | C38 | H381 | 90.0° | 177.8° |
| H372 | C37 | C38 | H382 | 90.0° | 62.6° |
| H372 | C37 | C38 | H383 | 90.0° | 56.6° |
| H381 | C38 | H382 | H383 | 90.0° | 116.9° |
| C2 | C1 | O5 | H1 | 155.9° | 123.8° |
| C1 | C2 | O2 | C3 | 118.7° | 121.5° |
| C1 | C2 | O2 | H2 | 121.2° | 119.2° |
| C1 | C2 | C3 | H2 | 121.4° | 123.2° |
| C1 | C2 | O2 | HO2 | 109.8° | 55.8° |
| C1 | C2 | C3 | O3 | 175.7° | 167.9° |
| C1 | C2 | C3 | C4 | 58.5° | 48.6° |
| C1 | C2 | C3 | H3 | 61.6° | 75.2° |
| C2 | C1 | O5 | C5 | 59.1° | 62.1° |
| O5 | C1 | C2 | O2 | 179.8° | 174.2° |
| O5 | C1 | C2 | C3 | 62.7° | 53.9° |
| O5 | C1 | C2 | H2 | 57.4° | 69.1° |
| C1 | O5 | C5 | C4 | 60.2° | 63.1° |
| C1 | O5 | C5 | C6 | 176.3° | 174.9° |
| C1 | O5 | C5 | H5 | 55.7° | 58.6° |
| H1 | C1 | C2 | O2 | 47.0° | 51.4° |
| H1 | C1 | C2 | C3 | 164.4° | 68.9° |
| H1 | C1 | C2 | H2 | 75.4° | 168.1° |
| H1 | C1 | O5 | C5 | 145.0° | 61.7° |
| O2 | C2 | C3 | H2 | 122.5° | 117.2° |
| O2 | C2 | C3 | O3 | 68.2° | 72.5° |
| O2 | C2 | C3 | C4 | 174.6° | 168.2° |
| O2 | C2 | C3 | H3 | 54.5° | 44.4° |
| C3 | C2 | O2 | HO2 | 8.9° | 65.8° |
| C2 | C3 | O3 | C4 | 115.0° | 121.3° |
| C2 | C3 | O3 | H3 | 124.5° | 119.8° |
| C2 | C3 | C4 | H3 | 125.1° | 123.9° |
| C2 | C3 | O3 | HO3 | 179.5° | 149.8° |
| C2 | C3 | C4 | O4 | 178.2° | 170.1° |
| C2 | C3 | C4 | C5 | 54.7° | 49.5° |
| C2 | C3 | C4 | H4 | 63.3° | 72.6° |
| H2 | C2 | O2 | HO2 | 129.0° | 174.9° |
| H2 | C2 | C3 | O3 | 54.3° | 44.7° |
| H2 | C2 | C3 | C4 | 62.9° | 74.6° |
| H2 | C2 | C3 | H3 | 176.9° | 161.6° |
| O3 | C3 | C4 | H3 | 123.5° | 116.0° |
| O3 | C3 | C4 | O4 | 66.8° | 69.8° |
| O3 | C3 | C4 | C5 | 166.2° | 169.7° |
| O3 | C3 | C4 | H4 | 48.2° | 47.6° |
| C4 | C3 | O3 | HO3 | 65.5° | 88.9° |
| C3 | C4 | O4 | C5 | 121.9° | 121.4° |
| C3 | C4 | O4 | H4 | 120.8° | 118.7° |
| C3 | C4 | C5 | H4 | 121.2° | 121.5° |
| C3 | C4 | O4 | HO4 | 105.1° | 101.5° |
| C3 | C4 | C5 | C6 | 177.2° | 175.2° |
| C3 | C4 | C5 | O5 | 54.5° | 55.8° |
| C3 | C4 | C5 | H5 | 62.2° | 65.0° |
| H3 | C3 | O3 | HO3 | 54.9° | 30.0° |
| H3 | C3 | C4 | O4 | 56.7° | 46.2° |
| H3 | C3 | C4 | C5 | 70.3° | 74.3° |
| H3 | C3 | C4 | H4 | 171.6° | 163.6° |
| O4 | C4 | C5 | H4 | 114.5° | 117.9° |
| O4 | C4 | C5 | C6 | 58.5° | 64.3° |
| O4 | C4 | C5 | O5 | 178.8° | 176.4° |
| O4 | C4 | C5 | H5 | 62.1° | 55.5° |
| C5 | C4 | O4 | HO4 | 16.8° | 19.9° |
| C4 | C5 | C6 | O5 | 126.4° | 120.7° |
| C4 | C5 | C6 | H5 | 116.3° | 121.7° |
| C4 | C5 | O5 | H5 | 115.9° | 121.8° |
| C4 | C5 | C6 | S | 179.0° | 179.4° |
| C4 | C5 | C6 | H61 | 61.0° | 60.0° |
| C4 | C5 | C6 | H62 | 68.1° | 61.3° |
| H4 | C4 | O4 | HO4 | 134.1° | 139.8° |
| H4 | C4 | C5 | C6 | 56.0° | 53.7° |
| H4 | C4 | C5 | O5 | 66.6° | 65.7° |
| H4 | C4 | C5 | H5 | 176.6° | 173.4° |
| C6 | C5 | O5 | H5 | 120.6° | 116.3° |
| C5 | C6 | S | H61 | 120.0° | 120.9° |
| C5 | C6 | S | H62 | 110.9° | 120.9° |
| C5 | C6 | H61 | H62 | 113.0° | 121.6° |
| C5 | C6 | S | O7 | 132.4° | 60.0° |
| C5 | C6 | S | O8 | 107.9° | 172.8° |
| C5 | C6 | S | O9 | 1.6° | 74.4° |
| O5 | C5 | C6 | S | 52.6° | 58.6° |
| O5 | C5 | C6 | H61 | 172.6° | 60.8° |
| O5 | C5 | C6 | H62 | 58.4° | 178.0° |
| H5 | C5 | C6 | S | 64.7° | 58.9° |
| H5 | C5 | C6 | H61 | 55.3° | 178.3° |
| H5 | C5 | C6 | H62 | 175.6° | 60.4° |
| S | C6 | H61 | H62 | 113.0° | 116.9° |
| C6 | S | O7 | O8 | 108.8° | 105.5° |
| C6 | S | O7 | O9 | 125.2° | 127.9° |
| C6 | S | O8 | O9 | 106.8° | 113.1° |
| C6 | S | O8 | HO8 | 149.5° | 71.1° |
| H61 | C6 | S | O7 | 107.6° | 179.1° |
| H61 | C6 | S | O8 | 12.1° | 66.3° |
| H61 | C6 | S | O9 | 121.6° | 46.5° |
| H62 | C6 | S | O7 | 21.5° | 60.9° |
| H62 | C6 | S | O8 | 141.2° | 51.9° |
| H62 | C6 | S | O9 | 109.3° | 164.6° |
| O7 | S | O8 | O9 | 130.6° | 133.6° |
| O7 | S | O8 | HO8 | 87.8° | 42.2° |
| O9 | S | O8 | HO8 | 42.8° | 175.8° |
