SLF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C35 | H353 | sing | 1.09Å | 1.11Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C18 | O2 | doub | 1.21Å | 1.22Å | |
| C18 | N | sing | 1.35Å | 1.34Å | |
| N | C1 | sing | 1.46Å | 1.45Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| C1 | C | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C | O | sing | 1.43Å | 1.45Å | |
| C | H1A | sing | 1.09Å | 1.12Å | |
| C | H2A | sing | 1.09Å | 1.11Å | |
| O | C36 | sing | 1.43Å | 1.48Å | |
| C36 | O8 | sing | 1.43Å | 1.45Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | H36 | sing | 1.09Å | 1.12Å | |
| O8 | C40 | sing | 1.43Å | 1.45Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C40 | H40 | sing | 1.09Å | 1.12Å | |
| C41 | O9 | sing | 1.43Å | 1.40Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C39 | O7 | sing | 1.43Å | 1.42Å | |
| C39 | C38 | sing | 1.53Å | 1.50Å | |
| C39 | H39 | sing | 1.09Å | 1.12Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C38 | O5 | sing | 1.43Å | 1.45Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C38 | H38 | sing | 1.09Å | 1.12Å | |
| O5 | S | sing | 1.52Å | 1.66Å | |
| S | O6 | sing | 1.52Å | 1.49Å | |
| S | O12 | doub | 1.42Å | 1.49Å | |
| S | O13 | doub | 1.42Å | 1.49Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C37 | O4 | sing | 1.43Å | 1.39Å | |
| C37 | H37 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | doub | 1.31Å | 1.34Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | C35 | H351 | 113.3° | 109.5° |
| C34 | C35 | H352 | 110.8° | 109.5° |
| C34 | C35 | H353 | 110.8° | 109.4° |
| C35 | C34 | C33 | 113.3° | 109.5° |
| C35 | C34 | H341 | 110.8° | 109.4° |
| C35 | C34 | H342 | 110.8° | 109.4° |
| H351 | C35 | H352 | 110.9° | 109.5° |
| H351 | C35 | H353 | 110.8° | 109.4° |
| H352 | C35 | H353 | 99.5° | 109.5° |
| C33 | C34 | H341 | 110.8° | 109.5° |
| C33 | C34 | H342 | 110.8° | 109.5° |
| C34 | C33 | C32 | 114.5° | 109.5° |
| C34 | C33 | H331 | 110.4° | 109.5° |
| C34 | C33 | H332 | 110.4° | 109.5° |
| H341 | C34 | H342 | 99.4° | 109.5° |
| C32 | C33 | H331 | 110.4° | 109.5° |
| C32 | C33 | H332 | 110.4° | 109.5° |
| C33 | C32 | C31 | 111.0° | 109.5° |
| C33 | C32 | H321 | 111.7° | 109.5° |
| C33 | C32 | H322 | 111.7° | 109.5° |
| H331 | C33 | H332 | 99.9° | 109.5° |
| C31 | C32 | H321 | 111.7° | 109.4° |
| C31 | C32 | H322 | 111.7° | 109.5° |
| C32 | C31 | C30 | 118.6° | 109.5° |
| C32 | C31 | H311 | 108.9° | 109.5° |
| C32 | C31 | H312 | 108.9° | 109.5° |
| H321 | C32 | H322 | 98.7° | 109.4° |
| C30 | C31 | H311 | 108.9° | 109.4° |
| C30 | C31 | H312 | 108.9° | 109.4° |
| C31 | C30 | C29 | 108.2° | 109.5° |
| C31 | C30 | H301 | 112.7° | 109.4° |
| C31 | C30 | H302 | 112.7° | 109.4° |
| H311 | C31 | H312 | 101.2° | 109.5° |
| C29 | C30 | H301 | 112.7° | 109.5° |
| C29 | C30 | H302 | 112.7° | 109.4° |
| C30 | C29 | C28 | 116.0° | 109.5° |
| C30 | C29 | H291 | 109.8° | 109.4° |
| C30 | C29 | H292 | 109.8° | 109.5° |
| H301 | C30 | H302 | 97.7° | 109.5° |
| C28 | C29 | H291 | 109.9° | 109.5° |
| C28 | C29 | H292 | 109.9° | 109.5° |
| C29 | C28 | C27 | 112.3° | 109.5° |
| C29 | C28 | H281 | 111.2° | 109.5° |
| C29 | C28 | H282 | 111.2° | 109.5° |
| H291 | C29 | H292 | 100.4° | 109.4° |
| C27 | C28 | H281 | 111.1° | 109.4° |
| C27 | C28 | H282 | 111.2° | 109.4° |
| C28 | C27 | C26 | 115.1° | 109.5° |
| C28 | C27 | H271 | 110.2° | 109.5° |
| C28 | C27 | H272 | 110.2° | 109.4° |
| H281 | C28 | H282 | 99.2° | 109.5° |
| C26 | C27 | H271 | 110.2° | 109.5° |
| C26 | C27 | H272 | 110.2° | 109.4° |
| C27 | C26 | C25 | 110.7° | 109.5° |
| C27 | C26 | H261 | 111.8° | 109.5° |
| C27 | C26 | H262 | 111.8° | 109.4° |
| H271 | C27 | H272 | 100.0° | 109.5° |
| C25 | C26 | H261 | 111.8° | 109.4° |
| C25 | C26 | H262 | 111.7° | 109.5° |
| C26 | C25 | C24 | 112.9° | 109.5° |
| C26 | C25 | H251 | 111.0° | 109.4° |
| C26 | C25 | H252 | 111.0° | 109.5° |
| H261 | C26 | H262 | 98.7° | 109.5° |
| C24 | C25 | H251 | 110.9° | 109.5° |
| C24 | C25 | H252 | 111.0° | 109.5° |
| C25 | C24 | C23 | 114.2° | 109.5° |
| C25 | C24 | H241 | 110.5° | 109.4° |
| C25 | C24 | H242 | 110.5° | 109.4° |
| H251 | C25 | H252 | 99.4° | 109.5° |
| C23 | C24 | H241 | 110.5° | 109.5° |
| C23 | C24 | H242 | 110.5° | 109.5° |
| C24 | C23 | C22 | 112.8° | 109.5° |
| C24 | C23 | H231 | 111.0° | 109.5° |
| C24 | C23 | H232 | 111.1° | 109.4° |
| H241 | C24 | H242 | 99.8° | 109.5° |
| C22 | C23 | H231 | 111.0° | 109.5° |
| C22 | C23 | H232 | 111.0° | 109.5° |
| C23 | C22 | C21 | 107.5° | 109.5° |
| C23 | C22 | H221 | 112.9° | 109.5° |
| C23 | C22 | H222 | 112.9° | 109.5° |
| H231 | C23 | H232 | 99.3° | 109.5° |
| C21 | C22 | H221 | 113.0° | 109.4° |
| C21 | C22 | H222 | 112.9° | 109.4° |
| C22 | C21 | C20 | 116.1° | 109.5° |
| C22 | C21 | H211 | 109.8° | 109.5° |
| C22 | C21 | H212 | 109.8° | 109.5° |
| H221 | C22 | H222 | 97.5° | 109.5° |
| C20 | C21 | H211 | 109.8° | 109.4° |
| C20 | C21 | H212 | 109.9° | 109.4° |
| C21 | C20 | C19 | 110.0° | 109.5° |
| C21 | C20 | H201 | 112.0° | 109.4° |
| C21 | C20 | H202 | 112.0° | 109.4° |
| H211 | C21 | H212 | 100.4° | 109.5° |
| C19 | C20 | H201 | 112.0° | 109.5° |
| C19 | C20 | H202 | 112.1° | 109.5° |
| C20 | C19 | C18 | 106.5° | 109.5° |
| C20 | C19 | H191 | 113.3° | 109.5° |
| C20 | C19 | H192 | 113.3° | 109.5° |
| H201 | C20 | H202 | 98.3° | 109.6° |
| C18 | C19 | H191 | 113.4° | 109.5° |
| C18 | C19 | H192 | 113.4° | 109.5° |
| C19 | C18 | O2 | 119.7° | 119.9° |
| C19 | C18 | N | 115.1° | 120.0° |
| H191 | C19 | H192 | 97.2° | 109.4° |
| O2 | C18 | N | 125.2° | 120.1° |
| C18 | N | C1 | 128.0° | 120.0° |
| C18 | N | HN | 111.3° | 120.0° |
| C1 | N | HN | 120.6° | 120.1° |
| N | C1 | C | 115.5° | 109.5° |
| N | C1 | C2 | 102.6° | 109.4° |
| N | C1 | H1 | 113.2° | 109.4° |
| C | C1 | C2 | 117.0° | 109.4° |
| C | C1 | H1 | 97.4° | 109.6° |
| C1 | C | O | 116.6° | 109.5° |
| C1 | C | H1A | 109.6° | 109.5° |
| C1 | C | H2A | 109.7° | 109.4° |
| C2 | C1 | H1 | 111.7° | 109.4° |
| C1 | C2 | O1 | 104.6° | 109.5° |
| C1 | C2 | C3 | 109.3° | 109.5° |
| C1 | C2 | H2 | 113.6° | 109.5° |
| O | C | H1A | 109.6° | 109.4° |
| O | C | H2A | 109.7° | 109.5° |
| C | O | C36 | 121.3° | 106.8° |
| H1A | C | H2A | 100.5° | 109.5° |
| O | C36 | O8 | 112.1° | 109.4° |
| O | C36 | C37 | 116.1° | 109.5° |
| O | C36 | H36 | 101.8° | 109.4° |
| O8 | C36 | C37 | 106.1° | 109.7° |
| O8 | C36 | H36 | 112.6° | 109.4° |
| C36 | O8 | C40 | 114.4° | 107.6° |
| C37 | C36 | H36 | 108.3° | 109.4° |
| C36 | C37 | C38 | 113.7° | 109.1° |
| C36 | C37 | O4 | 105.9° | 109.5° |
| C36 | C37 | H37 | 108.7° | 109.6° |
| O8 | C40 | C41 | 115.8° | 109.5° |
| O8 | C40 | C39 | 114.6° | 109.8° |
| O8 | C40 | H40 | 99.0° | 109.4° |
| C41 | C40 | C39 | 101.4° | 109.3° |
| C41 | C40 | H40 | 112.8° | 109.4° |
| C40 | C41 | O9 | 109.7° | 109.4° |
| C40 | C41 | H411 | 112.1° | 109.5° |
| C40 | C41 | H412 | 112.1° | 109.4° |
| C39 | C40 | H40 | 114.0° | 109.4° |
| C40 | C39 | O7 | 110.9° | 109.5° |
| C40 | C39 | C38 | 109.8° | 109.0° |
| C40 | C39 | H39 | 108.8° | 109.5° |
| O9 | C41 | H411 | 112.1° | 109.5° |
| O9 | C41 | H412 | 112.1° | 109.4° |
| C41 | O9 | HO9 | 109.7° | 106.8° |
| H411 | C41 | H412 | 98.3° | 109.5° |
| O7 | C39 | C38 | 110.8° | 109.6° |
| O7 | C39 | H39 | 107.7° | 109.5° |
| C39 | O7 | HO7 | 110.8° | 106.8° |
| C38 | C39 | H39 | 108.8° | 109.6° |
| C39 | C38 | O5 | 106.1° | 109.6° |
| C39 | C38 | C37 | 106.2° | 108.6° |
| C39 | C38 | H38 | 116.2° | 109.6° |
| O5 | C38 | C37 | 116.0° | 109.8° |
| O5 | C38 | H38 | 106.4° | 109.6° |
| C38 | O5 | S | 123.2° | 106.8° |
| C37 | C38 | H38 | 106.3° | 109.7° |
| C38 | C37 | O4 | 108.3° | 109.5° |
| C38 | C37 | H37 | 106.4° | 109.6° |
| O5 | S | O6 | 110.2° | 107.4° |
| O5 | S | O12 | 106.6° | 105.7° |
| O5 | S | O13 | 113.8° | 105.8° |
| O6 | S | O12 | 109.0° | 105.8° |
| O6 | S | O13 | 108.2° | 105.8° |
| S | O6 | HO6 | 110.2° | 106.8° |
| O12 | S | O13 | 108.9° | 125.4° |
| O4 | C37 | H37 | 114.0° | 109.5° |
| C37 | O4 | HO4 | 106.0° | 106.7° |
| O1 | C2 | C3 | 112.1° | 109.5° |
| O1 | C2 | H2 | 110.9° | 109.5° |
| C2 | O1 | HO1 | 104.6° | 106.7° |
| C3 | C2 | H2 | 106.4° | 109.4° |
| C2 | C3 | C4 | 123.0° | 120.0° |
| C2 | C3 | H3 | 125.3° | 120.0° |
| C4 | C3 | H3 | 111.7° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H4 | 113.8° | 120.0° |
| C5 | C4 | H4 | 126.4° | 120.0° |
| C4 | C5 | C6 | 113.9° | 109.4° |
| C4 | C5 | H51 | 110.6° | 109.5° |
| C4 | C5 | H52 | 110.6° | 109.5° |
| C6 | C5 | H51 | 110.6° | 109.5° |
| C6 | C5 | H52 | 110.6° | 109.5° |
| C5 | C6 | C7 | 115.7° | 109.4° |
| C5 | C6 | H61 | 110.0° | 109.5° |
| C5 | C6 | H62 | 110.0° | 109.5° |
| H51 | C5 | H52 | 99.7° | 109.4° |
| C7 | C6 | H61 | 110.0° | 109.4° |
| C7 | C6 | H62 | 110.0° | 109.5° |
| C6 | C7 | C8 | 110.8° | 109.5° |
| C6 | C7 | H71 | 111.7° | 109.5° |
| C6 | C7 | H72 | 111.7° | 109.5° |
| H61 | C6 | H62 | 100.2° | 109.5° |
| C8 | C7 | H71 | 111.7° | 109.5° |
| C8 | C7 | H72 | 111.7° | 109.4° |
| C7 | C8 | C9 | 115.3° | 109.5° |
| C7 | C8 | H81 | 110.1° | 109.5° |
| C7 | C8 | H82 | 110.1° | 109.4° |
| H71 | C7 | H72 | 98.7° | 109.5° |
| C9 | C8 | H81 | 110.1° | 109.5° |
| C9 | C8 | H82 | 110.1° | 109.5° |
| C8 | C9 | C10 | 114.2° | 109.5° |
| C8 | C9 | H91 | 110.5° | 109.5° |
| C8 | C9 | H92 | 110.5° | 109.5° |
| H81 | C8 | H82 | 100.1° | 109.5° |
| C10 | C9 | H91 | 110.5° | 109.5° |
| C10 | C9 | H92 | 110.5° | 109.4° |
| C9 | C10 | C11 | 113.6° | 109.5° |
| C9 | C10 | H101 | 110.7° | 109.5° |
| C9 | C10 | H102 | 110.7° | 109.5° |
| H91 | C9 | H92 | 99.8° | 109.5° |
| C11 | C10 | H101 | 110.7° | 109.4° |
| C11 | C10 | H102 | 110.7° | 109.4° |
| C10 | C11 | C12 | 113.7° | 109.5° |
| C10 | C11 | H111 | 110.7° | 109.4° |
| C10 | C11 | H112 | 110.7° | 109.5° |
| H101 | C10 | H102 | 99.6° | 109.5° |
| C12 | C11 | H111 | 110.6° | 109.4° |
| C12 | C11 | H112 | 110.6° | 109.6° |
| C11 | C12 | C13 | 116.0° | 109.5° |
| C11 | C12 | H121 | 109.8° | 109.4° |
| C11 | C12 | H122 | 109.9° | 109.5° |
| H111 | C11 | H112 | 99.7° | 109.5° |
| C13 | C12 | H121 | 109.8° | 109.5° |
| C13 | C12 | H122 | 109.8° | 109.4° |
| C12 | C13 | C14 | 114.0° | 109.5° |
| C12 | C13 | H131 | 110.6° | 109.4° |
| C12 | C13 | H132 | 110.6° | 109.5° |
| H121 | C12 | H122 | 100.4° | 109.5° |
| C14 | C13 | H131 | 110.5° | 109.5° |
| C14 | C13 | H132 | 110.5° | 109.5° |
| C13 | C14 | C15 | 115.2° | 109.5° |
| C13 | C14 | H141 | 110.1° | 109.5° |
| C13 | C14 | H142 | 110.1° | 109.5° |
| H131 | C13 | H132 | 99.8° | 109.4° |
| C15 | C14 | H141 | 110.1° | 109.4° |
| C15 | C14 | H142 | 110.1° | 109.5° |
| C14 | C15 | C16 | 111.0° | 109.5° |
| C14 | C15 | H151 | 111.6° | 109.4° |
| C14 | C15 | H152 | 111.7° | 109.5° |
| H141 | C14 | H142 | 100.1° | 109.5° |
| C16 | C15 | H151 | 111.6° | 109.5° |
| C16 | C15 | H152 | 111.6° | 109.4° |
| C15 | C16 | C17 | 116.4° | 109.5° |
| C15 | C16 | H161 | 109.7° | 109.5° |
| C15 | C16 | H162 | 109.7° | 109.4° |
| H151 | C15 | H152 | 98.7° | 109.6° |
| C17 | C16 | H161 | 109.6° | 109.5° |
| C17 | C16 | H162 | 109.6° | 109.5° |
| C16 | C17 | H171 | 116.5° | 109.4° |
| C16 | C17 | H172 | 109.7° | 109.5° |
| C16 | C17 | H173 | 109.7° | 109.5° |
| H161 | C16 | H162 | 100.6° | 109.5° |
| H171 | C17 | H172 | 109.6° | 109.4° |
| H171 | C17 | H173 | 109.6° | 109.5° |
| H172 | C17 | H173 | 100.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | C35 | H351 | H352 | 125.3° | 120.1° |
| C34 | C35 | H351 | H353 | 125.2° | 119.9° |
| C34 | C35 | H352 | H353 | 116.6° | 120.0° |
| C35 | C34 | C33 | H341 | 125.3° | 119.9° |
| C35 | C34 | C33 | H342 | 125.3° | 120.0° |
| C35 | C34 | H341 | H342 | 116.7° | 120.0° |
| C35 | C34 | C33 | C32 | 164.4° | 180.0° |
| C35 | C34 | C33 | H331 | 70.4° | 60.0° |
| C35 | C34 | C33 | H332 | 39.1° | 60.0° |
| H351 | C35 | H352 | H353 | 116.7° | 120.0° |
| H351 | C35 | C34 | C33 | 180.0° | 180.0° |
| H351 | C35 | C34 | H341 | 54.7° | 60.1° |
| H351 | C35 | C34 | H342 | 54.7° | 60.0° |
| H352 | C35 | C34 | C33 | 54.7° | 60.0° |
| H352 | C35 | C34 | H341 | 70.6° | 60.0° |
| H352 | C35 | C34 | H342 | 180.0° | 180.0° |
| H353 | C35 | C34 | C33 | 54.7° | 60.1° |
| H353 | C35 | C34 | H341 | 179.9° | 180.0° |
| H353 | C35 | C34 | H342 | 70.5° | 60.0° |
| C33 | C34 | H341 | H342 | 116.6° | 120.1° |
| C34 | C33 | C32 | H331 | 125.2° | 120.0° |
| C34 | C33 | C32 | H332 | 125.3° | 120.0° |
| C34 | C33 | H331 | H332 | 116.3° | 120.0° |
| C34 | C33 | C32 | C31 | 72.2° | 180.0° |
| C34 | C33 | C32 | H321 | 53.1° | 60.0° |
| C34 | C33 | C32 | H322 | 162.5° | 60.0° |
| H341 | C34 | C33 | C32 | 39.1° | 60.1° |
| H341 | C34 | C33 | H331 | 164.3° | 179.9° |
| H341 | C34 | C33 | H332 | 86.2° | 59.9° |
| H342 | C34 | C33 | C32 | 70.3° | 60.0° |
| H342 | C34 | C33 | H331 | 54.9° | 60.0° |
| H342 | C34 | C33 | H332 | 164.4° | 180.0° |
| C32 | C33 | H331 | H332 | 116.2° | 120.0° |
| C33 | C32 | C31 | H321 | 125.3° | 120.0° |
| C33 | C32 | C31 | H322 | 125.3° | 120.1° |
| C33 | C32 | H321 | H322 | 117.5° | 120.0° |
| C33 | C32 | C31 | C30 | 153.2° | 180.0° |
| C33 | C32 | C31 | H311 | 27.9° | 60.0° |
| C33 | C32 | C31 | H312 | 81.6° | 60.0° |
| H331 | C33 | C32 | C31 | 162.6° | 60.0° |
| H331 | C33 | C32 | H321 | 72.1° | 180.0° |
| H331 | C33 | C32 | H322 | 37.3° | 60.0° |
| H332 | C33 | C32 | C31 | 53.1° | 60.0° |
| H332 | C33 | C32 | H321 | 178.4° | 60.0° |
| H332 | C33 | C32 | H322 | 72.2° | 179.9° |
| C31 | C32 | H321 | H322 | 117.6° | 119.9° |
| C32 | C31 | C30 | H311 | 125.3° | 120.1° |
| C32 | C31 | C30 | H312 | 125.2° | 120.0° |
| C32 | C31 | H311 | H312 | 114.6° | 120.0° |
| C32 | C31 | C30 | C29 | 171.6° | 180.0° |
| C32 | C31 | C30 | H301 | 63.1° | 59.9° |
| C32 | C31 | C30 | H302 | 46.3° | 60.0° |
| H321 | C32 | C31 | C30 | 81.5° | 60.0° |
| H321 | C32 | C31 | H311 | 153.2° | 180.0° |
| H321 | C32 | C31 | H312 | 43.7° | 60.0° |
| H322 | C32 | C31 | C30 | 27.9° | 60.0° |
| H322 | C32 | C31 | H311 | 97.4° | 60.0° |
| H322 | C32 | C31 | H312 | 153.1° | 179.9° |
| C30 | C31 | H311 | H312 | 114.6° | 119.9° |
| C31 | C30 | C29 | H301 | 125.2° | 120.0° |
| C31 | C30 | C29 | H302 | 125.3° | 120.0° |
| C31 | C30 | H301 | H302 | 118.6° | 119.9° |
| C31 | C30 | C29 | C28 | 157.5° | 180.0° |
| C31 | C30 | C29 | H291 | 32.2° | 60.0° |
| C31 | C30 | C29 | H292 | 77.2° | 60.0° |
| H311 | C31 | C30 | C29 | 46.4° | 59.9° |
| H311 | C31 | C30 | H301 | 171.6° | 180.0° |
| H311 | C31 | C30 | H302 | 79.0° | 60.0° |
| H312 | C31 | C30 | C29 | 63.2° | 60.0° |
| H312 | C31 | C30 | H301 | 62.1° | 60.0° |
| H312 | C31 | C30 | H302 | 171.5° | 180.0° |
| C29 | C30 | H301 | H302 | 118.6° | 120.0° |
| C30 | C29 | C28 | H291 | 125.3° | 120.0° |
| C30 | C29 | C28 | H292 | 125.2° | 120.0° |
| C30 | C29 | H291 | H292 | 115.6° | 119.9° |
| C30 | C29 | C28 | C27 | 100.5° | 180.0° |
| C30 | C29 | C28 | H281 | 24.7° | 60.0° |
| C30 | C29 | C28 | H282 | 134.2° | 60.0° |
| H301 | C30 | C29 | C28 | 77.2° | 60.0° |
| H301 | C30 | C29 | H291 | 157.5° | 180.0° |
| H301 | C30 | C29 | H292 | 48.0° | 60.0° |
| H302 | C30 | C29 | C28 | 32.2° | 60.0° |
| H302 | C30 | C29 | H291 | 93.1° | 60.0° |
| H302 | C30 | C29 | H292 | 157.5° | 179.9° |
| C28 | C29 | H291 | H292 | 115.7° | 120.0° |
| C29 | C28 | C27 | H281 | 125.2° | 120.0° |
| C29 | C28 | C27 | H282 | 125.3° | 120.0° |
| C29 | C28 | H281 | H282 | 117.1° | 120.0° |
| C29 | C28 | C27 | C26 | 79.0° | 180.0° |
| C29 | C28 | C27 | H271 | 46.3° | 60.0° |
| C29 | C28 | C27 | H272 | 155.7° | 60.0° |
| H291 | C29 | C28 | C27 | 134.2° | 60.0° |
| H291 | C29 | C28 | H281 | 100.6° | 180.0° |
| H291 | C29 | C28 | H282 | 8.9° | 60.0° |
| H292 | C29 | C28 | C27 | 24.7° | 60.0° |
| H292 | C29 | C28 | H281 | 149.9° | 60.0° |
| H292 | C29 | C28 | H282 | 100.6° | 180.0° |
| C27 | C28 | H281 | H282 | 117.1° | 119.9° |
| C28 | C27 | C26 | H271 | 125.3° | 120.0° |
| C28 | C27 | C26 | H272 | 125.3° | 120.0° |
| C28 | C27 | H271 | H272 | 116.0° | 119.9° |
| C28 | C27 | C26 | C25 | 176.0° | 180.0° |
| C28 | C27 | C26 | H261 | 58.8° | 60.0° |
| C28 | C27 | C26 | H262 | 50.8° | 60.1° |
| H281 | C28 | C27 | C26 | 155.8° | 59.9° |
| H281 | C28 | C27 | H271 | 79.0° | 180.0° |
| H281 | C28 | C27 | H272 | 30.5° | 60.0° |
| H282 | C28 | C27 | C26 | 46.3° | 60.0° |
| H282 | C28 | C27 | H271 | 171.6° | 60.1° |
| H282 | C28 | C27 | H272 | 79.0° | 180.0° |
| C26 | C27 | H271 | H272 | 116.0° | 120.0° |
| C27 | C26 | C25 | H261 | 125.2° | 120.0° |
| C27 | C26 | C25 | H262 | 125.2° | 119.9° |
| C27 | C26 | H261 | H262 | 117.7° | 120.0° |
| C27 | C26 | C25 | C24 | 87.9° | 180.0° |
| C27 | C26 | C25 | H251 | 37.4° | 60.0° |
| C27 | C26 | C25 | H252 | 146.9° | 60.0° |
| H271 | C27 | C26 | C25 | 50.7° | 60.0° |
| H271 | C27 | C26 | H261 | 176.0° | 180.0° |
| H271 | C27 | C26 | H262 | 74.5° | 60.0° |
| H272 | C27 | C26 | C25 | 58.7° | 60.0° |
| H272 | C27 | C26 | H261 | 66.5° | 60.0° |
| H272 | C27 | C26 | H262 | 176.1° | 180.0° |
| C25 | C26 | H261 | H262 | 117.7° | 120.0° |
| C26 | C25 | C24 | H251 | 125.3° | 120.0° |
| C26 | C25 | C24 | H252 | 125.3° | 120.0° |
| C26 | C25 | H251 | H252 | 116.9° | 120.0° |
| C26 | C25 | C24 | C23 | 178.2° | 180.0° |
| C26 | C25 | C24 | H241 | 52.9° | 60.0° |
| C26 | C25 | C24 | H242 | 56.5° | 59.9° |
| H261 | C26 | C25 | C24 | 146.9° | 60.0° |
| H261 | C26 | C25 | H251 | 87.9° | 180.0° |
| H261 | C26 | C25 | H252 | 21.6° | 60.0° |
| H262 | C26 | C25 | C24 | 37.4° | 60.0° |
| H262 | C26 | C25 | H251 | 162.6° | 60.0° |
| H262 | C26 | C25 | H252 | 87.9° | 180.0° |
| C24 | C25 | H251 | H252 | 116.8° | 120.0° |
| C25 | C24 | C23 | H241 | 125.3° | 120.0° |
| C25 | C24 | C23 | H242 | 125.3° | 120.0° |
| C25 | C24 | H241 | H242 | 116.3° | 119.9° |
| C25 | C24 | C23 | C22 | 109.1° | 180.0° |
| C25 | C24 | C23 | H231 | 125.6° | 60.0° |
| C25 | C24 | C23 | H232 | 16.2° | 60.0° |
| H251 | C25 | C24 | C23 | 56.6° | 60.0° |
| H251 | C25 | C24 | H241 | 178.2° | 180.0° |
| H251 | C25 | C24 | H242 | 68.7° | 60.0° |
| H252 | C25 | C24 | C23 | 52.9° | 60.0° |
| H252 | C25 | C24 | H241 | 72.4° | 60.0° |
| H252 | C25 | C24 | H242 | 178.2° | 180.0° |
| C23 | C24 | H241 | H242 | 116.3° | 120.0° |
| C24 | C23 | C22 | H231 | 125.3° | 120.0° |
| C24 | C23 | C22 | H232 | 125.3° | 120.0° |
| C24 | C23 | H231 | H232 | 116.9° | 120.0° |
| C24 | C23 | C22 | C21 | 68.9° | 180.0° |
| C24 | C23 | C22 | H221 | 56.4° | 60.0° |
| C24 | C23 | C22 | H222 | 165.8° | 60.0° |
| H241 | C24 | C23 | C22 | 16.2° | 60.0° |
| H241 | C24 | C23 | H231 | 109.1° | 180.0° |
| H241 | C24 | C23 | H232 | 141.4° | 60.0° |
| H242 | C24 | C23 | C22 | 125.6° | 60.0° |
| H242 | C24 | C23 | H231 | 0.3° | 60.0° |
| H242 | C24 | C23 | H232 | 109.1° | 180.0° |
| C22 | C23 | H231 | H232 | 116.8° | 120.0° |
| C23 | C22 | C21 | H221 | 125.3° | 120.0° |
| C23 | C22 | C21 | H222 | 125.2° | 120.0° |
| C23 | C22 | H221 | H222 | 118.8° | 120.0° |
| C23 | C22 | C21 | C20 | 170.6° | 180.0° |
| C23 | C22 | C21 | H211 | 64.1° | 60.0° |
| C23 | C22 | C21 | H212 | 45.4° | 60.0° |
| H231 | C23 | C22 | C21 | 165.8° | 60.0° |
| H231 | C23 | C22 | H221 | 68.9° | 180.0° |
| H231 | C23 | C22 | H222 | 40.5° | 60.0° |
| H232 | C23 | C22 | C21 | 56.4° | 60.0° |
| H232 | C23 | C22 | H221 | 178.3° | 60.0° |
| H232 | C23 | C22 | H222 | 68.9° | 180.0° |
| C21 | C22 | H221 | H222 | 118.9° | 119.9° |
| C22 | C21 | C20 | H211 | 125.2° | 120.0° |
| C22 | C21 | C20 | H212 | 125.2° | 120.0° |
| C22 | C21 | H211 | H212 | 115.6° | 120.0° |
| C22 | C21 | C20 | C19 | 173.7° | 180.0° |
| C22 | C21 | C20 | H201 | 61.0° | 60.0° |
| C22 | C21 | C20 | H202 | 48.4° | 60.0° |
| H221 | C22 | C21 | C20 | 45.4° | 60.0° |
| H221 | C22 | C21 | H211 | 170.6° | 180.0° |
| H221 | C22 | C21 | H212 | 79.9° | 60.0° |
| H222 | C22 | C21 | C20 | 64.1° | 60.0° |
| H222 | C22 | C21 | H211 | 61.1° | 60.0° |
| H222 | C22 | C21 | H212 | 170.6° | 180.0° |
| C20 | C21 | H211 | H212 | 115.7° | 119.9° |
| C21 | C20 | C19 | H201 | 125.3° | 119.9° |
| C21 | C20 | C19 | H202 | 125.3° | 119.9° |
| C21 | C20 | H201 | H202 | 117.9° | 119.9° |
| C21 | C20 | C19 | C18 | 77.3° | 180.0° |
| C21 | C20 | C19 | H191 | 157.4° | 60.0° |
| C21 | C20 | C19 | H192 | 47.9° | 60.0° |
| H211 | C21 | C20 | C19 | 48.5° | 60.0° |
| H211 | C21 | C20 | H201 | 173.8° | 180.0° |
| H211 | C21 | C20 | H202 | 76.8° | 60.0° |
| H212 | C21 | C20 | C19 | 61.0° | 60.0° |
| H212 | C21 | C20 | H201 | 64.2° | 60.0° |
| H212 | C21 | C20 | H202 | 173.7° | 179.9° |
| C19 | C20 | H201 | H202 | 118.0° | 120.1° |
| C20 | C19 | C18 | H191 | 125.2° | 120.0° |
| C20 | C19 | C18 | H192 | 125.2° | 120.1° |
| C20 | C19 | H191 | H192 | 119.2° | 120.1° |
| C20 | C19 | C18 | O2 | 109.3° | 0.1° |
| C20 | C19 | C18 | N | 70.3° | 180.0° |
| H201 | C20 | C19 | C18 | 47.9° | 60.1° |
| H201 | C20 | C19 | H191 | 77.3° | 179.9° |
| H201 | C20 | C19 | H192 | 173.2° | 60.0° |
| H202 | C20 | C19 | C18 | 157.4° | 60.1° |
| H202 | C20 | C19 | H191 | 32.1° | 59.9° |
| H202 | C20 | C19 | H192 | 77.3° | 179.9° |
| C18 | C19 | H191 | H192 | 119.3° | 120.0° |
| C19 | C18 | O2 | N | 179.6° | 180.0° |
| C19 | C18 | N | C1 | 179.2° | 179.9° |
| C19 | C18 | N | HN | 0.8° | 0.0° |
| H191 | C19 | C18 | O2 | 15.9° | 120.0° |
| H191 | C19 | C18 | N | 164.4° | 60.0° |
| H192 | C19 | C18 | O2 | 125.5° | 120.0° |
| H192 | C19 | C18 | N | 54.9° | 59.9° |
| O2 | C18 | N | C1 | 0.4° | 0.1° |
| O2 | C18 | N | HN | 179.6° | 180.0° |
| C18 | N | C1 | HN | 180.0° | 179.9° |
| C18 | N | C1 | C | 62.1° | 90.0° |
| C18 | N | C1 | C2 | 66.4° | 150.0° |
| C18 | N | C1 | H1 | 173.2° | 30.1° |
| N | C1 | C | C2 | 120.9° | 120.0° |
| N | C1 | C | H1 | 120.1° | 120.1° |
| N | C1 | C2 | H1 | 121.5° | 119.9° |
| N | C1 | C | O | 124.8° | 64.1° |
| N | C1 | C | H1A | 0.5° | 175.9° |
| N | C1 | C | H2A | 109.9° | 55.9° |
| N | C1 | C2 | O1 | 170.7° | 177.0° |
| N | C1 | C2 | C3 | 50.5° | 62.9° |
| N | C1 | C2 | H2 | 68.1° | 57.0° |
| HN | N | C1 | C | 117.9° | 89.9° |
| HN | N | C1 | C2 | 113.7° | 30.0° |
| HN | N | C1 | H1 | 6.8° | 149.9° |
| C | C1 | C2 | H1 | 111.0° | 120.1° |
| C1 | C | O | H1A | 125.2° | 120.0° |
| C1 | C | O | H2A | 125.3° | 120.0° |
| C1 | C | H1A | H2A | 115.4° | 120.0° |
| C1 | C | O | C36 | 157.4° | 180.0° |
| C | C1 | C2 | O1 | 61.7° | 57.0° |
| C | C1 | C2 | C3 | 178.0° | 177.0° |
| C | C1 | C2 | H2 | 59.4° | 63.0° |
| C2 | C1 | C | O | 114.3° | 55.9° |
| C2 | C1 | C | H1A | 120.5° | 64.1° |
| C2 | C1 | C | H2A | 11.0° | 175.9° |
| C1 | C2 | O1 | C3 | 118.4° | 120.0° |
| C1 | C2 | O1 | H2 | 122.8° | 120.0° |
| C1 | C2 | C3 | H2 | 123.0° | 120.0° |
| C1 | C2 | O1 | HO1 | 180.0° | 54.1° |
| C1 | C2 | C3 | C4 | 109.8° | 120.0° |
| C1 | C2 | C3 | H3 | 70.1° | 60.0° |
| H1 | C1 | C | O | 4.6° | 175.8° |
| H1 | C1 | C | H1A | 120.6° | 55.9° |
| H1 | C1 | C | H2A | 129.9° | 64.1° |
| H1 | C1 | C2 | O1 | 49.3° | 63.1° |
| H1 | C1 | C2 | C3 | 71.0° | 57.0° |
| H1 | C1 | C2 | H2 | 170.4° | 176.9° |
| O | C | H1A | H2A | 115.4° | 120.0° |
| C | O | C36 | O8 | 152.8° | 59.9° |
| C | O | C36 | C37 | 30.7° | 179.8° |
| C | O | C36 | H36 | 86.6° | 60.0° |
| H1A | C | O | C36 | 32.2° | 60.0° |
| H2A | C | O | C36 | 77.3° | 60.0° |
| O | C36 | O8 | C37 | 127.7° | 120.1° |
| O | C36 | O8 | H36 | 114.0° | 119.8° |
| O | C36 | C37 | H36 | 113.6° | 119.8° |
| O | C36 | O8 | C40 | 177.8° | 172.3° |
| O | C36 | C37 | C38 | 175.1° | 178.6° |
| O | C36 | C37 | O4 | 56.4° | 58.7° |
| O | C36 | C37 | H37 | 66.6° | 61.5° |
| O8 | C36 | C37 | H36 | 121.1° | 120.1° |
| C36 | O8 | C40 | C41 | 172.7° | 172.4° |
| C36 | O8 | C40 | C39 | 55.1° | 67.6° |
| C36 | O8 | C40 | H40 | 66.5° | 52.5° |
| O8 | C36 | C37 | C38 | 59.6° | 61.4° |
| O8 | C36 | C37 | O4 | 178.4° | 178.8° |
| O8 | C36 | C37 | H37 | 58.7° | 58.6° |
| C37 | C36 | O8 | C40 | 54.5° | 67.6° |
| C36 | C37 | C38 | C39 | 61.1° | 53.8° |
| C36 | C37 | C38 | O5 | 178.7° | 173.6° |
| C36 | C37 | C38 | O4 | 117.4° | 119.8° |
| C36 | C37 | C38 | H37 | 119.6° | 120.0° |
| C36 | C37 | C38 | H38 | 63.2° | 65.9° |
| C36 | C37 | O4 | H37 | 119.5° | 120.3° |
| C36 | C37 | O4 | HO4 | 180.0° | 60.5° |
| H36 | C36 | O8 | C40 | 63.8° | 52.5° |
| H36 | C36 | C37 | C38 | 61.5° | 58.7° |
| H36 | C36 | C37 | O4 | 57.3° | 61.1° |
| H36 | C36 | C37 | H37 | 179.7° | 178.7° |
| O8 | C40 | C41 | C39 | 124.7° | 120.3° |
| O8 | C40 | C41 | H40 | 113.0° | 119.9° |
| O8 | C40 | C39 | H40 | 113.1° | 120.1° |
| O8 | C40 | C41 | O9 | 50.1° | 60.0° |
| O8 | C40 | C41 | H411 | 175.4° | 180.0° |
| O8 | C40 | C41 | H412 | 75.1° | 59.9° |
| O8 | C40 | C39 | O7 | 68.6° | 58.7° |
| O8 | C40 | C39 | C38 | 54.2° | 61.3° |
| O8 | C40 | C39 | H39 | 173.2° | 178.9° |
| C41 | C40 | C39 | H40 | 121.5° | 119.8° |
| C40 | C41 | O9 | H411 | 125.2° | 120.0° |
| C40 | C41 | O9 | H412 | 125.3° | 119.9° |
| C40 | C41 | H411 | H412 | 118.1° | 120.0° |
| C40 | C41 | O9 | HO9 | 179.9° | 180.0° |
| C41 | C40 | C39 | O7 | 56.9° | 61.4° |
| C41 | C40 | C39 | C38 | 179.6° | 178.6° |
| C41 | C40 | C39 | H39 | 61.4° | 58.8° |
| C39 | C40 | C41 | O9 | 174.8° | 179.7° |
| C39 | C40 | C41 | H411 | 59.9° | 59.7° |
| C39 | C40 | C41 | H412 | 49.5° | 60.4° |
| C40 | C39 | O7 | C38 | 122.1° | 119.6° |
| C40 | C39 | O7 | H39 | 118.9° | 120.2° |
| C40 | C39 | C38 | H39 | 119.0° | 119.8° |
| C40 | C39 | O7 | HO7 | 180.0° | 60.0° |
| C40 | C39 | C38 | O5 | 178.6° | 173.6° |
| C40 | C39 | C38 | C37 | 54.6° | 53.8° |
| C40 | C39 | C38 | H38 | 63.4° | 66.1° |
| H40 | C40 | C41 | O9 | 62.9° | 59.9° |
| H40 | C40 | C41 | H411 | 62.4° | 60.1° |
| H40 | C40 | C41 | H412 | 171.8° | 179.8° |
| H40 | C40 | C39 | O7 | 178.3° | 178.8° |
| H40 | C40 | C39 | C38 | 58.9° | 58.8° |
| H40 | C40 | C39 | H39 | 60.1° | 61.0° |
| O9 | C41 | H411 | H412 | 118.1° | 120.0° |
| H411 | C41 | O9 | HO9 | 54.7° | 60.0° |
| H412 | C41 | O9 | HO9 | 54.8° | 60.1° |
| O7 | C39 | C38 | H39 | 118.3° | 120.3° |
| O7 | C39 | C38 | O5 | 55.9° | 53.8° |
| O7 | C39 | C38 | C37 | 68.2° | 66.1° |
| O7 | C39 | C38 | H38 | 173.9° | 174.0° |
| C38 | C39 | O7 | HO7 | 57.9° | 179.6° |
| C39 | C38 | O5 | C37 | 117.7° | 119.2° |
| C39 | C38 | O5 | H38 | 124.3° | 120.3° |
| C39 | C38 | C37 | H38 | 124.3° | 119.8° |
| C39 | C38 | O5 | S | 82.2° | 97.9° |
| C39 | C38 | C37 | O4 | 178.6° | 173.7° |
| C39 | C38 | C37 | H37 | 58.5° | 66.2° |
| H39 | C39 | O7 | HO7 | 61.1° | 60.2° |
| H39 | C39 | C38 | O5 | 62.4° | 66.5° |
| H39 | C39 | C38 | C37 | 173.6° | 173.6° |
| H39 | C39 | C38 | H38 | 55.6° | 53.8° |
| O5 | C38 | C37 | H38 | 118.1° | 120.5° |
| C38 | O5 | S | O6 | 170.2° | 72.2° |
| C38 | O5 | S | O12 | 71.7° | 175.2° |
| C38 | O5 | S | O13 | 48.4° | 40.4° |
| O5 | C38 | C37 | O4 | 63.8° | 66.5° |
| O5 | C38 | C37 | H37 | 59.1° | 53.6° |
| C37 | C38 | O5 | S | 160.1° | 142.9° |
| C38 | C37 | O4 | H37 | 118.2° | 120.2° |
| C38 | C37 | O4 | HO4 | 57.7° | 180.0° |
| H38 | C38 | O5 | S | 42.1° | 22.4° |
| H38 | C38 | C37 | O4 | 54.2° | 53.9° |
| H38 | C38 | C37 | H37 | 177.2° | 174.1° |
| O5 | S | O6 | O12 | 116.7° | 112.5° |
| O5 | S | O6 | O13 | 125.0° | 112.6° |
| O5 | S | O12 | O13 | 123.2° | 123.1° |
| O5 | S | O6 | HO6 | 180.0° | 180.0° |
| O6 | S | O12 | O13 | 117.9° | 123.2° |
| O12 | S | O6 | HO6 | 63.3° | 67.4° |
| O13 | S | O6 | HO6 | 55.0° | 67.4° |
| H37 | C37 | O4 | HO4 | 60.5° | 59.8° |
| O1 | C2 | C3 | H2 | 121.4° | 120.0° |
| O1 | C2 | C3 | C4 | 134.6° | 0.0° |
| O1 | C2 | C3 | H3 | 45.4° | 180.0° |
| C3 | C2 | O1 | HO1 | 61.6° | 65.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C2 | C3 | C4 | H4 | 0.1° | 0.0° |
| H2 | C2 | O1 | HO1 | 57.2° | 174.1° |
| H2 | C2 | C3 | C4 | 13.2° | 120.0° |
| H2 | C2 | C3 | H3 | 166.9° | 60.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 157.7° | 120.0° |
| C3 | C4 | C5 | H51 | 32.5° | 120.0° |
| C3 | C4 | C5 | H52 | 77.0° | 0.0° |
| H3 | C3 | C4 | C5 | 0.1° | 0.0° |
| H3 | C3 | C4 | H4 | 179.9° | 180.0° |
| C4 | C5 | C6 | H51 | 125.2° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 116.5° | 120.0° |
| C4 | C5 | C6 | C7 | 71.6° | 180.0° |
| C4 | C5 | C6 | H61 | 53.7° | 60.0° |
| C4 | C5 | C6 | H62 | 163.1° | 60.0° |
| H4 | C4 | C5 | C6 | 22.3° | 60.0° |
| H4 | C4 | C5 | H51 | 147.5° | 60.0° |
| H4 | C4 | C5 | H52 | 103.0° | 180.0° |
| C6 | C5 | H51 | H52 | 116.5° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 115.8° | 120.1° |
| C5 | C6 | C7 | C8 | 168.7° | 180.0° |
| C5 | C6 | C7 | H71 | 43.5° | 60.0° |
| C5 | C6 | C7 | H72 | 66.0° | 60.0° |
| H51 | C5 | C6 | C7 | 163.2° | 60.0° |
| H51 | C5 | C6 | H61 | 71.5° | 180.0° |
| H51 | C5 | C6 | H62 | 37.9° | 60.0° |
| H52 | C5 | C6 | C7 | 53.7° | 60.0° |
| H52 | C5 | C6 | H61 | 179.0° | 60.0° |
| H52 | C5 | C6 | H62 | 71.6° | 180.0° |
| C7 | C6 | H61 | H62 | 115.7° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 117.6° | 120.0° |
| C6 | C7 | C8 | C9 | 159.9° | 180.0° |
| C6 | C7 | C8 | H81 | 34.6° | 60.0° |
| C6 | C7 | C8 | H82 | 74.8° | 60.0° |
| H61 | C6 | C7 | C8 | 66.0° | 60.0° |
| H61 | C6 | C7 | H71 | 168.8° | 180.0° |
| H61 | C6 | C7 | H72 | 59.3° | 60.0° |
| H62 | C6 | C7 | C8 | 43.4° | 60.0° |
| H62 | C6 | C7 | H71 | 81.8° | 60.0° |
| H62 | C6 | C7 | H72 | 168.7° | 180.0° |
| C8 | C7 | H71 | H72 | 117.6° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 119.9° |
| C7 | C8 | H81 | H82 | 115.9° | 120.0° |
| C7 | C8 | C9 | C10 | 177.2° | 180.0° |
| C7 | C8 | C9 | H91 | 51.9° | 59.9° |
| C7 | C8 | C9 | H92 | 57.6° | 60.1° |
| H71 | C7 | C8 | C9 | 74.8° | 59.9° |
| H71 | C7 | C8 | H81 | 159.9° | 180.0° |
| H71 | C7 | C8 | H82 | 50.5° | 60.0° |
| H72 | C7 | C8 | C9 | 34.7° | 60.0° |
| H72 | C7 | C8 | H81 | 90.6° | 60.0° |
| H72 | C7 | C8 | H82 | 160.0° | 180.0° |
| C9 | C8 | H81 | H82 | 115.9° | 120.0° |
| C8 | C9 | C10 | H91 | 125.2° | 120.1° |
| C8 | C9 | C10 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H92 | 116.3° | 120.0° |
| C8 | C9 | C10 | C11 | 88.8° | 180.0° |
| C8 | C9 | C10 | H101 | 36.5° | 60.0° |
| C8 | C9 | C10 | H102 | 146.0° | 60.1° |
| H81 | C8 | C9 | C10 | 57.6° | 60.0° |
| H81 | C8 | C9 | H91 | 177.2° | 180.0° |
| H81 | C8 | C9 | H92 | 67.7° | 60.0° |
| H82 | C8 | C9 | C10 | 51.9° | 60.1° |
| H82 | C8 | C9 | H91 | 73.4° | 60.0° |
| H82 | C8 | C9 | H92 | 177.1° | 180.0° |
| C10 | C9 | H91 | H92 | 116.4° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 116.6° | 120.0° |
| C9 | C10 | C11 | C12 | 137.2° | 179.9° |
| C9 | C10 | C11 | H111 | 97.6° | 60.0° |
| C9 | C10 | C11 | H112 | 12.0° | 60.0° |
| H91 | C9 | C10 | C11 | 146.0° | 60.0° |
| H91 | C9 | C10 | H101 | 88.7° | 180.0° |
| H91 | C9 | C10 | H102 | 20.7° | 60.0° |
| H92 | C9 | C10 | C11 | 36.5° | 60.0° |
| H92 | C9 | C10 | H101 | 161.7° | 60.0° |
| H92 | C9 | C10 | H102 | 88.8° | 179.9° |
| C11 | C10 | H101 | H102 | 116.6° | 119.9° |
| C10 | C11 | C12 | H111 | 125.3° | 119.9° |
| C10 | C11 | C12 | H112 | 125.3° | 120.1° |
| C10 | C11 | H111 | H112 | 116.6° | 120.0° |
| C10 | C11 | C12 | C13 | 155.9° | 180.0° |
| C10 | C11 | C12 | H121 | 30.7° | 60.0° |
| C10 | C11 | C12 | H122 | 78.8° | 60.0° |
| H101 | C10 | C11 | C12 | 11.9° | 60.1° |
| H101 | C10 | C11 | H111 | 137.2° | 180.0° |
| H101 | C10 | C11 | H112 | 113.3° | 60.1° |
| H102 | C10 | C11 | C12 | 97.5° | 59.9° |
| H102 | C10 | C11 | H111 | 27.7° | 60.0° |
| H102 | C10 | C11 | H112 | 137.3° | 179.9° |
| C12 | C11 | H111 | H112 | 116.4° | 120.1° |
| C11 | C12 | C13 | H121 | 125.2° | 119.9° |
| C11 | C12 | C13 | H122 | 125.3° | 120.1° |
| C11 | C12 | H121 | H122 | 115.7° | 120.0° |
| C11 | C12 | C13 | C14 | 113.0° | 179.9° |
| C11 | C12 | C13 | H131 | 121.7° | 60.0° |
| C11 | C12 | C13 | H132 | 12.2° | 59.9° |
| H111 | C11 | C12 | C13 | 78.8° | 60.1° |
| H111 | C11 | C12 | H121 | 156.0° | 180.0° |
| H111 | C11 | C12 | H122 | 46.4° | 60.0° |
| H112 | C11 | C12 | C13 | 30.6° | 59.9° |
| H112 | C11 | C12 | H121 | 94.6° | 60.0° |
| H112 | C11 | C12 | H122 | 155.9° | 180.0° |
| C13 | C12 | H121 | H122 | 115.6° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 116.5° | 120.0° |
| C12 | C13 | C14 | C15 | 172.1° | 180.0° |
| C12 | C13 | C14 | H141 | 46.9° | 60.0° |
| C12 | C13 | C14 | H142 | 62.7° | 60.0° |
| H121 | C12 | C13 | C14 | 12.2° | 60.1° |
| H121 | C12 | C13 | H131 | 113.0° | 179.9° |
| H121 | C12 | C13 | H132 | 137.4° | 60.0° |
| H122 | C12 | C13 | C14 | 121.7° | 60.0° |
| H122 | C12 | C13 | H131 | 3.6° | 60.1° |
| H122 | C12 | C13 | H132 | 113.1° | 180.0° |
| C14 | C13 | H131 | H132 | 116.4° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 116.0° | 120.0° |
| C13 | C14 | C15 | C16 | 152.9° | 180.0° |
| C13 | C14 | C15 | H151 | 81.8° | 60.1° |
| C13 | C14 | C15 | H152 | 27.6° | 60.1° |
| H131 | C13 | C14 | C15 | 62.6° | 60.0° |
| H131 | C13 | C14 | H141 | 172.1° | 180.0° |
| H131 | C13 | C14 | H142 | 62.6° | 60.0° |
| H132 | C13 | C14 | C15 | 46.8° | 60.0° |
| H132 | C13 | C14 | H141 | 78.4° | 60.0° |
| H132 | C13 | C14 | H142 | 172.1° | 180.0° |
| C15 | C14 | H141 | H142 | 115.9° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 119.9° |
| C14 | C15 | H151 | H152 | 117.6° | 120.1° |
| C14 | C15 | C16 | C17 | 149.7° | 180.0° |
| C14 | C15 | C16 | H161 | 85.1° | 60.0° |
| C14 | C15 | C16 | H162 | 24.5° | 60.0° |
| H141 | C14 | C15 | C16 | 27.6° | 60.0° |
| H141 | C14 | C15 | H151 | 152.9° | 179.9° |
| H141 | C14 | C15 | H152 | 97.7° | 59.9° |
| H142 | C14 | C15 | C16 | 81.8° | 60.0° |
| H142 | C14 | C15 | H151 | 43.4° | 60.0° |
| H142 | C14 | C15 | H152 | 152.9° | 179.9° |
| C16 | C15 | H151 | H152 | 117.5° | 120.0° |
| C15 | C16 | C17 | H161 | 125.2° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 115.5° | 120.0° |
| C15 | C16 | C17 | H171 | 180.0° | 180.0° |
| C15 | C16 | C17 | H172 | 54.8° | 60.0° |
| C15 | C16 | C17 | H173 | 54.8° | 60.0° |
| H151 | C15 | C16 | C17 | 24.5° | 60.0° |
| H151 | C15 | C16 | H161 | 149.7° | 179.9° |
| H151 | C15 | C16 | H162 | 100.8° | 60.0° |
| H152 | C15 | C16 | C17 | 84.9° | 60.1° |
| H152 | C15 | C16 | H161 | 40.3° | 59.9° |
| H152 | C15 | C16 | H162 | 149.8° | 179.9° |
| C17 | C16 | H161 | H162 | 115.4° | 120.0° |
| C16 | C17 | H171 | H172 | 125.3° | 119.9° |
| C16 | C17 | H171 | H173 | 125.3° | 120.0° |
| C16 | C17 | H172 | H173 | 115.5° | 120.0° |
| H161 | C16 | C17 | H171 | 54.8° | 60.0° |
| H161 | C16 | C17 | H172 | 180.0° | 179.9° |
| H161 | C16 | C17 | H173 | 70.5° | 60.0° |
| H162 | C16 | C17 | H171 | 54.8° | 60.0° |
| H162 | C16 | C17 | H172 | 70.5° | 59.9° |
| H162 | C16 | C17 | H173 | 180.0° | 180.0° |
| H171 | C17 | H172 | H173 | 115.4° | 120.0° |
