Z8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O3 | sing | 1.43Å | 1.44Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.46Å | 1.47Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C18 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O1 | H1O | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O2 | H2O | sing | 0.97Å | 0.95Å | |
| N1 | C19 | sing | 1.35Å | 1.34Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| C19 | O4 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| H3O | O3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O3 | 110.8° | 109.4° |
| C2 | C1 | H11 | 109.1° | 109.5° |
| C2 | C1 | H12 | 109.1° | 109.4° |
| C1 | C2 | C3 | 111.8° | 109.5° |
| C1 | C2 | N1 | 110.4° | 109.5° |
| C1 | C2 | H21 | 107.6° | 109.5° |
| O3 | C1 | H11 | 109.1° | 109.5° |
| O3 | C1 | H12 | 109.1° | 109.5° |
| C1 | O3 | H3O | 109.5° | 113.9° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| C3 | C2 | N1 | 110.9° | 109.5° |
| C3 | C2 | H21 | 107.6° | 109.4° |
| C2 | C3 | C4 | 115.6° | 109.5° |
| C2 | C3 | O1 | 108.6° | 109.5° |
| C2 | C3 | H31 | 107.8° | 109.5° |
| N1 | C2 | H21 | 108.4° | 109.5° |
| C2 | N1 | C19 | 122.8° | 120.0° |
| C2 | N1 | H11N | 118.6° | 120.0° |
| C4 | C3 | O1 | 107.7° | 109.5° |
| C4 | C3 | H31 | 107.8° | 109.5° |
| C3 | C4 | C5 | 113.9° | 109.5° |
| C3 | C4 | O2 | 108.2° | 109.5° |
| C3 | C4 | H41 | 107.8° | 109.5° |
| O1 | C3 | H31 | 109.2° | 109.5° |
| C3 | O1 | H1O | 109.5° | 113.9° |
| C5 | C4 | O2 | 109.8° | 109.5° |
| C5 | C4 | H41 | 107.9° | 109.5° |
| C4 | C5 | C6 | 113.2° | 109.5° |
| C4 | C5 | H51 | 108.5° | 109.4° |
| C4 | C5 | H52 | 108.5° | 109.5° |
| O2 | C4 | H41 | 109.1° | 109.5° |
| C4 | O2 | H2O | 109.5° | 114.0° |
| C6 | C5 | H51 | 108.5° | 109.5° |
| C6 | C5 | H52 | 108.5° | 109.5° |
| C5 | C6 | C18 | 110.1° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| H51 | C5 | H52 | 109.4° | 109.4° |
| C18 | C6 | H61 | 109.3° | 109.5° |
| C18 | C6 | H62 | 109.3° | 109.5° |
| C6 | C18 | C17 | 114.5° | 109.5° |
| C6 | C18 | H181 | 108.2° | 109.5° |
| C6 | C18 | H182 | 108.2° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| C8 | C7 | H71 | 109.5° | 109.5° |
| C8 | C7 | H72 | 109.4° | 109.5° |
| C8 | C7 | H73 | 109.5° | 109.4° |
| C7 | C8 | C9 | 112.5° | 109.5° |
| C7 | C8 | H81 | 108.7° | 109.5° |
| C7 | C8 | H82 | 108.7° | 109.4° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.6° |
| C9 | C8 | H81 | 108.7° | 109.5° |
| C9 | C8 | H82 | 108.7° | 109.4° |
| C8 | C9 | C10 | 109.2° | 109.5° |
| C8 | C9 | H91 | 109.6° | 109.5° |
| C8 | C9 | H92 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| C10 | C9 | H91 | 109.5° | 109.5° |
| C10 | C9 | H92 | 109.5° | 109.5° |
| C9 | C10 | C11 | 111.7° | 109.5° |
| C9 | C10 | H101 | 108.9° | 109.5° |
| C9 | C10 | H102 | 108.9° | 109.4° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| C11 | C10 | H101 | 108.9° | 109.5° |
| C11 | C10 | H102 | 108.9° | 109.4° |
| C10 | C11 | C12 | 109.4° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| C12 | C11 | H111 | 109.5° | 109.5° |
| C12 | C11 | H112 | 109.5° | 109.5° |
| C11 | C12 | C13 | 110.6° | 109.5° |
| C11 | C12 | H121 | 109.2° | 109.4° |
| C11 | C12 | H122 | 109.2° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| C13 | C12 | H121 | 109.2° | 109.5° |
| C13 | C12 | H122 | 109.2° | 109.5° |
| C12 | C13 | C14 | 111.6° | 109.5° |
| C12 | C13 | H131 | 108.9° | 109.4° |
| C12 | C13 | H132 | 109.0° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| C14 | C13 | H131 | 108.9° | 109.5° |
| C14 | C13 | H132 | 108.9° | 109.5° |
| C13 | C14 | C15 | 109.3° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| C15 | C14 | H141 | 109.5° | 109.5° |
| C15 | C14 | H142 | 109.5° | 109.4° |
| C14 | C15 | C16 | 111.6° | 109.5° |
| C14 | C15 | H151 | 108.9° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.4° |
| H141 | C14 | H142 | 109.4° | 109.4° |
| C16 | C15 | H151 | 108.9° | 109.5° |
| C16 | C15 | H152 | 108.9° | 109.5° |
| C15 | C16 | C17 | 109.2° | 109.4° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| C17 | C16 | H161 | 109.5° | 109.5° |
| C17 | C16 | H162 | 109.6° | 109.5° |
| C16 | C17 | C18 | 112.2° | 109.5° |
| C16 | C17 | H171 | 108.8° | 109.5° |
| C16 | C17 | H172 | 108.8° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| C18 | C17 | H171 | 108.7° | 109.5° |
| C18 | C17 | H172 | 108.8° | 109.4° |
| C17 | C18 | H181 | 108.2° | 109.5° |
| C17 | C18 | H182 | 108.2° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| C19 | N1 | H11N | 118.6° | 120.0° |
| N1 | C19 | O4 | 123.4° | 120.0° |
| N1 | C19 | C20 | 114.9° | 120.0° |
| O4 | C19 | C20 | 121.6° | 120.0° |
| C19 | C20 | C21 | 113.1° | 109.4° |
| C19 | C20 | H201 | 108.6° | 109.5° |
| C19 | C20 | H202 | 108.5° | 109.5° |
| C21 | C20 | H201 | 108.5° | 109.4° |
| C21 | C20 | H202 | 108.6° | 109.5° |
| C20 | C21 | C22 | 113.5° | 109.5° |
| C20 | C21 | H211 | 108.4° | 109.4° |
| C20 | C21 | H212 | 108.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| C22 | C21 | H211 | 108.5° | 109.5° |
| C22 | C21 | H212 | 108.5° | 109.5° |
| C21 | C22 | C23 | 109.4° | 109.5° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C23 | C22 | H222 | 109.5° | 109.4° |
| C22 | C23 | C24 | 113.4° | 109.5° |
| C22 | C23 | H231 | 108.5° | 109.5° |
| C22 | C23 | H232 | 108.5° | 109.4° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| C24 | C23 | H231 | 108.5° | 109.5° |
| C24 | C23 | H232 | 108.5° | 109.5° |
| C23 | C24 | C25 | 113.0° | 109.4° |
| C23 | C24 | H241 | 108.6° | 109.4° |
| C23 | C24 | H242 | 108.6° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| C25 | C24 | H241 | 108.6° | 109.5° |
| C25 | C24 | H242 | 108.6° | 109.5° |
| C24 | C25 | C26 | 111.2° | 109.4° |
| C24 | C25 | H251 | 109.0° | 109.4° |
| C24 | C25 | H252 | 109.1° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| C26 | C25 | H251 | 109.1° | 109.5° |
| C26 | C25 | H252 | 109.1° | 109.5° |
| C25 | C26 | C27 | 109.9° | 109.5° |
| C25 | C26 | H261 | 109.4° | 109.5° |
| C25 | C26 | H262 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| C27 | C26 | H261 | 109.4° | 109.5° |
| C27 | C26 | H262 | 109.4° | 109.4° |
| C26 | C27 | C28 | 111.7° | 109.5° |
| C26 | C27 | H271 | 108.9° | 109.5° |
| C26 | C27 | H272 | 108.9° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| C28 | C27 | H271 | 108.9° | 109.5° |
| C28 | C27 | H272 | 108.9° | 109.5° |
| C27 | C28 | C29 | 111.0° | 109.4° |
| C27 | C28 | H281 | 109.1° | 109.5° |
| C27 | C28 | H282 | 109.1° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| C29 | C28 | H281 | 109.1° | 109.4° |
| C29 | C28 | H282 | 109.1° | 109.5° |
| C28 | C29 | C30 | 114.0° | 109.4° |
| C28 | C29 | H291 | 108.3° | 109.5° |
| C28 | C29 | H292 | 108.3° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| C30 | C29 | H291 | 108.3° | 109.5° |
| C30 | C29 | H292 | 108.3° | 109.5° |
| C29 | C30 | C31 | 110.8° | 109.5° |
| C29 | C30 | H301 | 109.1° | 109.5° |
| C29 | C30 | H302 | 109.1° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| C31 | C30 | H301 | 109.1° | 109.5° |
| C31 | C30 | H302 | 109.1° | 109.4° |
| C30 | C31 | C32 | 112.1° | 109.5° |
| C30 | C31 | H311 | 108.8° | 109.5° |
| C30 | C31 | H312 | 108.8° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| C32 | C31 | H311 | 108.8° | 109.5° |
| C32 | C31 | H312 | 108.8° | 109.5° |
| C31 | C32 | C33 | 111.2° | 109.4° |
| C31 | C32 | H321 | 109.0° | 109.5° |
| C31 | C32 | H322 | 109.1° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.4° |
| C33 | C32 | H321 | 109.1° | 109.4° |
| C33 | C32 | H322 | 109.0° | 109.5° |
| C32 | C33 | C34 | 108.7° | 109.5° |
| C32 | C33 | H331 | 109.7° | 109.5° |
| C32 | C33 | H332 | 109.7° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| C34 | C33 | H331 | 109.7° | 109.4° |
| C34 | C33 | H332 | 109.7° | 109.4° |
| C33 | C34 | C35 | 112.3° | 109.5° |
| C33 | C34 | H341 | 108.8° | 109.4° |
| C33 | C34 | H342 | 108.8° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.5° |
| C35 | C34 | H341 | 108.8° | 109.5° |
| C35 | C34 | H342 | 108.8° | 109.5° |
| C34 | C35 | C36 | 110.6° | 109.5° |
| C34 | C35 | H351 | 109.2° | 109.4° |
| C34 | C35 | H352 | 109.2° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| C36 | C35 | H351 | 109.2° | 109.5° |
| C36 | C35 | H352 | 109.2° | 109.5° |
| C35 | C36 | C37 | 110.9° | 109.5° |
| C35 | C36 | H361 | 109.1° | 109.5° |
| C35 | C36 | H362 | 109.1° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| C37 | C36 | H361 | 109.1° | 109.4° |
| C37 | C36 | H362 | 109.1° | 109.5° |
| C36 | C37 | C38 | 113.2° | 109.5° |
| C36 | C37 | H371 | 108.5° | 109.4° |
| C36 | C37 | H372 | 108.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| C38 | C37 | H371 | 108.5° | 109.5° |
| C38 | C37 | H372 | 108.5° | 109.5° |
| C37 | C38 | C39 | 111.4° | 109.5° |
| C37 | C38 | H381 | 109.0° | 109.5° |
| C37 | C38 | H382 | 109.0° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| C39 | C38 | H381 | 109.0° | 109.4° |
| C39 | C38 | H382 | 109.0° | 109.5° |
| C38 | C39 | C40 | 113.1° | 109.5° |
| C38 | C39 | H391 | 108.5° | 109.5° |
| C38 | C39 | H392 | 108.6° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.4° |
| C40 | C39 | H391 | 108.6° | 109.4° |
| C40 | C39 | H392 | 108.5° | 109.5° |
| C39 | C40 | C41 | 115.1° | 109.5° |
| C39 | C40 | H401 | 108.1° | 109.5° |
| C39 | C40 | H402 | 108.0° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.4° |
| C41 | C40 | H401 | 108.0° | 109.4° |
| C41 | C40 | H402 | 108.1° | 109.5° |
| C40 | C41 | C42 | 114.4° | 109.5° |
| C40 | C41 | H411 | 108.2° | 109.4° |
| C40 | C41 | H412 | 108.2° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| C42 | C41 | H411 | 108.2° | 109.5° |
| C42 | C41 | H412 | 108.2° | 109.5° |
| C41 | C42 | C43 | 110.4° | 109.5° |
| C41 | C42 | H421 | 109.3° | 109.5° |
| C41 | C42 | H422 | 109.2° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| C43 | C42 | H421 | 109.3° | 109.4° |
| C43 | C42 | H422 | 109.3° | 109.5° |
| C42 | C43 | C44 | 111.4° | 109.5° |
| C42 | C43 | H431 | 109.0° | 109.5° |
| C42 | C43 | H432 | 109.0° | 109.5° |
| H421 | C42 | H422 | 109.4° | 109.4° |
| C44 | C43 | H431 | 109.0° | 109.4° |
| C44 | C43 | H432 | 109.0° | 109.5° |
| C43 | C44 | H441 | 109.5° | 109.4° |
| C43 | C44 | H442 | 109.5° | 109.5° |
| C43 | C44 | H443 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.4° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.4° | 109.5° |
| H442 | C44 | H443 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O3 | H11 | 120.2° | 120.0° |
| C2 | C1 | O3 | H12 | 120.2° | 119.9° |
| C2 | C1 | H11 | H12 | 119.4° | 120.0° |
| C1 | C2 | C3 | N1 | 123.7° | 120.0° |
| C1 | C2 | C3 | H21 | 117.9° | 120.0° |
| C1 | C2 | N1 | H21 | 117.6° | 120.0° |
| C1 | C2 | C3 | C4 | 159.2° | 174.5° |
| C1 | C2 | C3 | O1 | 38.1° | 54.4° |
| C1 | C2 | C3 | H31 | 80.1° | 65.5° |
| C1 | C2 | N1 | C19 | 104.4° | 85.0° |
| C1 | C2 | N1 | H11N | 75.5° | 95.0° |
| C2 | C1 | O3 | H3O | 180.0° | 180.0° |
| O3 | C1 | H11 | H12 | 119.4° | 120.0° |
| O3 | C1 | C2 | C3 | 57.1° | 55.6° |
| O3 | C1 | C2 | N1 | 66.9° | 64.5° |
| O3 | C1 | C2 | H21 | 175.0° | 175.5° |
| H11 | C1 | C2 | C3 | 63.1° | 64.4° |
| H11 | C1 | C2 | N1 | 172.9° | 175.5° |
| H11 | C1 | C2 | H21 | 54.8° | 55.5° |
| H11 | C1 | O3 | H3O | 59.8° | 60.0° |
| H12 | C1 | C2 | C3 | 177.3° | 175.5° |
| H12 | C1 | C2 | N1 | 53.3° | 55.5° |
| H12 | C1 | C2 | H21 | 64.8° | 64.5° |
| H12 | C1 | O3 | H3O | 59.8° | 60.0° |
| C3 | C2 | N1 | H21 | 117.9° | 120.0° |
| C2 | C3 | C4 | O1 | 121.6° | 120.1° |
| C2 | C3 | C4 | H31 | 120.7° | 120.0° |
| C2 | C3 | O1 | H31 | 117.3° | 120.0° |
| C2 | C3 | C4 | C5 | 68.1° | 180.0° |
| C2 | C3 | C4 | O2 | 54.4° | 60.0° |
| C2 | C3 | C4 | H41 | 172.2° | 60.0° |
| C2 | C3 | O1 | H1O | 180.0° | 55.0° |
| C3 | C2 | N1 | C19 | 131.1° | 155.0° |
| C3 | C2 | N1 | H11N | 49.0° | 25.0° |
| N1 | C2 | C3 | C4 | 77.1° | 65.5° |
| N1 | C2 | C3 | O1 | 161.8° | 174.5° |
| N1 | C2 | C3 | H31 | 43.6° | 54.5° |
| C2 | N1 | C19 | H11N | 180.0° | 180.0° |
| C2 | N1 | C19 | O4 | 3.2° | 0.0° |
| C2 | N1 | C19 | C20 | 179.6° | 180.0° |
| H21 | C2 | C3 | C4 | 41.3° | 54.5° |
| H21 | C2 | C3 | O1 | 79.8° | 65.5° |
| H21 | C2 | C3 | H31 | 162.0° | 174.5° |
| H21 | C2 | N1 | C19 | 13.2° | 35.0° |
| H21 | C2 | N1 | H11N | 166.8° | 145.0° |
| C4 | C3 | O1 | H31 | 116.8° | 120.0° |
| C3 | C4 | C5 | O2 | 121.6° | 120.0° |
| C3 | C4 | C5 | H41 | 119.6° | 120.0° |
| C3 | C4 | O2 | H41 | 117.1° | 120.0° |
| C3 | C4 | C5 | C6 | 168.3° | 175.0° |
| C3 | C4 | C5 | H51 | 47.8° | 55.0° |
| C3 | C4 | C5 | H52 | 71.1° | 65.0° |
| C4 | C3 | O1 | H1O | 54.1° | 65.0° |
| C3 | C4 | O2 | H2O | 180.0° | 60.0° |
| O1 | C3 | C4 | C5 | 170.3° | 60.0° |
| O1 | C3 | C4 | O2 | 67.3° | 180.0° |
| O1 | C3 | C4 | H41 | 50.6° | 60.0° |
| H31 | C3 | C4 | C5 | 52.6° | 60.0° |
| H31 | C3 | C4 | O2 | 175.1° | 60.0° |
| H31 | C3 | C4 | H41 | 67.0° | 180.0° |
| H31 | C3 | O1 | H1O | 62.7° | 175.0° |
| C5 | C4 | O2 | H41 | 118.0° | 120.0° |
| C4 | C5 | C6 | H51 | 120.6° | 120.0° |
| C4 | C5 | C6 | H52 | 120.6° | 120.0° |
| C4 | C5 | H51 | H52 | 118.3° | 120.0° |
| C4 | C5 | C6 | C18 | 177.2° | 180.0° |
| C4 | C5 | C6 | H61 | 57.2° | 60.0° |
| C4 | C5 | C6 | H62 | 62.6° | 60.0° |
| C5 | C4 | O2 | H2O | 55.1° | 60.0° |
| O2 | C4 | C5 | C6 | 70.1° | 65.0° |
| O2 | C4 | C5 | H51 | 169.3° | 175.0° |
| O2 | C4 | C5 | H52 | 50.5° | 55.0° |
| H41 | C4 | C5 | C6 | 48.7° | 55.0° |
| H41 | C4 | C5 | H51 | 71.9° | 65.1° |
| H41 | C4 | C5 | H52 | 169.3° | 175.0° |
| H41 | C4 | O2 | H2O | 63.0° | 179.9° |
| C6 | C5 | H51 | H52 | 118.3° | 120.0° |
| C5 | C6 | C18 | H61 | 120.1° | 120.0° |
| C5 | C6 | C18 | H62 | 120.1° | 120.0° |
| C5 | C6 | H61 | H62 | 119.7° | 120.0° |
| C5 | C6 | C18 | C17 | 178.9° | 180.0° |
| C5 | C6 | C18 | H181 | 60.3° | 59.9° |
| C5 | C6 | C18 | H182 | 58.2° | 60.0° |
| H51 | C5 | C6 | C18 | 62.2° | 60.0° |
| H51 | C5 | C6 | H61 | 177.7° | 180.0° |
| H51 | C5 | C6 | H62 | 57.9° | 60.0° |
| H52 | C5 | C6 | C18 | 56.7° | 60.0° |
| H52 | C5 | C6 | H61 | 63.4° | 60.0° |
| H52 | C5 | C6 | H62 | 176.8° | NaN° |
| C18 | C6 | H61 | H62 | 119.7° | 120.0° |
| C6 | C18 | C17 | C16 | 59.1° | 180.0° |
| C6 | C18 | C17 | H181 | 120.7° | 120.0° |
| C6 | C18 | C17 | H182 | 120.7° | 120.0° |
| C6 | C18 | C17 | H171 | 61.3° | 60.0° |
| C6 | C18 | C17 | H172 | 179.5° | 60.0° |
| C6 | C18 | H181 | H182 | 117.7° | 120.0° |
| H61 | C6 | C18 | C17 | 58.8° | 60.0° |
| H61 | C6 | C18 | H181 | 179.6° | 180.0° |
| H61 | C6 | C18 | H182 | 61.9° | 60.0° |
| H62 | C6 | C18 | C17 | 61.0° | 60.0° |
| H62 | C6 | C18 | H181 | 59.8° | 60.1° |
| H62 | C6 | C18 | H182 | 178.3° | 180.0° |
| C8 | C7 | H71 | H72 | 120.0° | 120.0° |
| C8 | C7 | H71 | H73 | 120.0° | 119.9° |
| C8 | C7 | H72 | H73 | 120.0° | 120.0° |
| C7 | C8 | C9 | H81 | 120.4° | 120.0° |
| C7 | C8 | C9 | H82 | 120.5° | 120.0° |
| C7 | C8 | H81 | H82 | 118.6° | 120.0° |
| C7 | C8 | C9 | C10 | 170.6° | 180.0° |
| C7 | C8 | C9 | H91 | 50.7° | 60.0° |
| C7 | C8 | C9 | H92 | 69.5° | 60.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| H71 | C7 | C8 | C9 | 180.0° | 60.0° |
| H71 | C7 | C8 | H81 | 59.6° | 180.0° |
| H71 | C7 | C8 | H82 | 59.5° | 60.0° |
| H72 | C7 | C8 | C9 | 60.0° | 179.9° |
| H72 | C7 | C8 | H81 | 60.4° | 60.0° |
| H72 | C7 | C8 | H82 | 179.5° | 60.0° |
| H73 | C7 | C8 | C9 | 60.0° | 60.0° |
| H73 | C7 | C8 | H81 | 179.6° | 60.1° |
| H73 | C7 | C8 | H82 | 60.5° | 179.9° |
| C9 | C8 | H81 | H82 | 118.6° | 120.0° |
| C8 | C9 | C10 | H91 | 120.0° | 120.0° |
| C8 | C9 | C10 | H92 | 119.9° | 119.9° |
| C8 | C9 | H91 | H92 | 120.1° | 120.0° |
| C8 | C9 | C10 | C11 | 169.0° | 180.0° |
| C8 | C9 | C10 | H101 | 70.7° | 60.0° |
| C8 | C9 | C10 | H102 | 48.6° | 60.1° |
| H81 | C8 | C9 | C10 | 68.9° | 60.0° |
| H81 | C8 | C9 | H91 | 171.1° | 180.0° |
| H81 | C8 | C9 | H92 | 51.0° | 60.0° |
| H82 | C8 | C9 | C10 | 50.2° | 60.0° |
| H82 | C8 | C9 | H91 | 69.8° | 60.0° |
| H82 | C8 | C9 | H92 | 170.1° | NaN° |
| C10 | C9 | H91 | H92 | 120.1° | 120.0° |
| C9 | C10 | C11 | H101 | 120.4° | 120.0° |
| C9 | C10 | C11 | H102 | 120.4° | 119.9° |
| C9 | C10 | H101 | H102 | 119.0° | 120.0° |
| C9 | C10 | C11 | C12 | 174.4° | 180.0° |
| C9 | C10 | C11 | H111 | 54.3° | 59.9° |
| C9 | C10 | C11 | H112 | 65.6° | 60.0° |
| H91 | C9 | C10 | C11 | 49.0° | 60.0° |
| H91 | C9 | C10 | H101 | 169.3° | 180.0° |
| H91 | C9 | C10 | H102 | 71.4° | 60.0° |
| H92 | C9 | C10 | C11 | 71.1° | 60.0° |
| H92 | C9 | C10 | H101 | 49.2° | 60.0° |
| H92 | C9 | C10 | H102 | 168.5° | 180.0° |
| C11 | C10 | H101 | H102 | 119.0° | 120.0° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 119.9° |
| C10 | C11 | C12 | C13 | 137.6° | 180.0° |
| C10 | C11 | C12 | H121 | 102.2° | 60.0° |
| C10 | C11 | C12 | H122 | 17.4° | 60.0° |
| H101 | C10 | C11 | C12 | 65.3° | 60.0° |
| H101 | C10 | C11 | H111 | 174.7° | 180.0° |
| H101 | C10 | C11 | H112 | 54.7° | 60.0° |
| H102 | C10 | C11 | C12 | 54.0° | 60.0° |
| H102 | C10 | C11 | H111 | 66.0° | 60.0° |
| H102 | C10 | C11 | H112 | 174.0° | 180.0° |
| C12 | C11 | H111 | H112 | 120.0° | 120.1° |
| C11 | C12 | C13 | H121 | 120.2° | 119.9° |
| C11 | C12 | C13 | H122 | 120.2° | 120.0° |
| C11 | C12 | H121 | H122 | 119.5° | 120.0° |
| C11 | C12 | C13 | C14 | 104.8° | 180.0° |
| C11 | C12 | C13 | H131 | 134.9° | 60.0° |
| C11 | C12 | C13 | H132 | 15.5° | 60.0° |
| H111 | C11 | C12 | C13 | 17.6° | 60.0° |
| H111 | C11 | C12 | H121 | 137.7° | 180.0° |
| H111 | C11 | C12 | H122 | 102.6° | 60.0° |
| H112 | C11 | C12 | C13 | 102.4° | 60.0° |
| H112 | C11 | C12 | H121 | 17.7° | 59.9° |
| H112 | C11 | C12 | H122 | 137.4° | 179.9° |
| C13 | C12 | H121 | H122 | 119.5° | 120.1° |
| C12 | C13 | C14 | H131 | 120.3° | 120.0° |
| C12 | C13 | C14 | H132 | 120.3° | 120.1° |
| C12 | C13 | H131 | H132 | 119.0° | 120.0° |
| C12 | C13 | C14 | C15 | 165.2° | 180.0° |
| C12 | C13 | C14 | H141 | 74.8° | 60.0° |
| C12 | C13 | C14 | H142 | 45.2° | 60.0° |
| H121 | C12 | C13 | C14 | 15.4° | 60.1° |
| H121 | C12 | C13 | H131 | 105.0° | 179.9° |
| H121 | C12 | C13 | H132 | 135.7° | 59.9° |
| H122 | C12 | C13 | C14 | 135.0° | 60.0° |
| H122 | C12 | C13 | H131 | 14.7° | 60.0° |
| H122 | C12 | C13 | H132 | 104.6° | 180.0° |
| C14 | C13 | H131 | H132 | 119.0° | 120.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 120.1° | 120.0° |
| C13 | C14 | C15 | C16 | 56.8° | 180.0° |
| C13 | C14 | C15 | H151 | 63.5° | 60.0° |
| C13 | C14 | C15 | H152 | 177.2° | 60.0° |
| H131 | C13 | C14 | C15 | 44.9° | 60.0° |
| H131 | C13 | C14 | H141 | 164.9° | NaN° |
| H131 | C13 | C14 | H142 | 75.1° | 60.0° |
| H132 | C13 | C14 | C15 | 74.5° | 60.0° |
| H132 | C13 | C14 | H141 | 45.5° | 60.0° |
| H132 | C13 | C14 | H142 | 165.5° | 180.0° |
| C15 | C14 | H141 | H142 | 120.1° | 120.0° |
| C14 | C15 | C16 | H151 | 120.3° | 120.0° |
| C14 | C15 | C16 | H152 | 120.3° | 119.9° |
| C14 | C15 | H151 | H152 | 119.0° | 120.0° |
| C14 | C15 | C16 | C17 | 170.8° | 180.0° |
| C14 | C15 | C16 | H161 | 69.3° | 60.0° |
| C14 | C15 | C16 | H162 | 50.9° | 60.0° |
| H141 | C14 | C15 | C16 | 176.8° | 60.0° |
| H141 | C14 | C15 | H151 | 56.5° | 180.0° |
| H141 | C14 | C15 | H152 | 62.9° | 60.0° |
| H142 | C14 | C15 | C16 | 63.2° | 60.0° |
| H142 | C14 | C15 | H151 | 176.5° | 60.0° |
| H142 | C14 | C15 | H152 | 57.2° | 180.0° |
| C16 | C15 | H151 | H152 | 119.0° | 120.0° |
| C15 | C16 | C17 | H161 | 119.9° | 120.0° |
| C15 | C16 | C17 | H162 | 119.9° | 119.9° |
| C15 | C16 | H161 | H162 | 120.1° | 120.0° |
| C15 | C16 | C17 | C18 | 168.3° | 180.0° |
| C15 | C16 | C17 | H171 | 71.3° | 60.0° |
| C15 | C16 | C17 | H172 | 47.9° | 60.1° |
| H151 | C15 | C16 | C17 | 50.5° | 60.0° |
| H151 | C15 | C16 | H161 | 170.4° | 180.0° |
| H151 | C15 | C16 | H162 | 69.5° | 60.0° |
| H152 | C15 | C16 | C17 | 68.8° | 60.1° |
| H152 | C15 | C16 | H161 | 51.1° | 59.9° |
| H152 | C15 | C16 | H162 | 171.2° | 180.0° |
| C17 | C16 | H161 | H162 | 120.2° | 120.1° |
| C16 | C17 | C18 | H171 | 120.4° | 120.0° |
| C16 | C17 | C18 | H172 | 120.4° | 120.0° |
| C16 | C17 | H171 | H172 | 118.7° | 120.1° |
| C16 | C17 | C18 | H181 | 61.7° | 60.0° |
| C16 | C17 | C18 | H182 | 179.8° | 60.0° |
| H161 | C16 | C17 | C18 | 48.4° | 60.0° |
| H161 | C16 | C17 | H171 | 168.8° | 180.0° |
| H161 | C16 | C17 | H172 | 72.1° | 59.9° |
| H162 | C16 | C17 | C18 | 71.8° | 60.1° |
| H162 | C16 | C17 | H171 | 48.6° | 59.9° |
| H162 | C16 | C17 | H172 | 167.8° | 180.0° |
| C18 | C17 | H171 | H172 | 118.7° | 119.9° |
| C17 | C18 | H181 | H182 | 117.7° | 120.0° |
| H171 | C17 | C18 | H181 | 177.9° | 60.1° |
| H171 | C17 | C18 | H182 | 59.4° | NaN° |
| H172 | C17 | C18 | H181 | 58.8° | 180.0° |
| H172 | C17 | C18 | H182 | 59.8° | 60.0° |
| N1 | C19 | O4 | C20 | 177.0° | 180.0° |
| N1 | C19 | C20 | C21 | 177.4° | 180.0° |
| N1 | C19 | C20 | H201 | 56.9° | 60.1° |
| N1 | C19 | C20 | H202 | 62.1° | 60.0° |
| H11N | N1 | C19 | O4 | 176.8° | 180.0° |
| H11N | N1 | C19 | C20 | 0.4° | 0.0° |
| O4 | C19 | C20 | C21 | 5.4° | 0.0° |
| O4 | C19 | C20 | H201 | 125.9° | 119.9° |
| O4 | C19 | C20 | H202 | 115.2° | 120.0° |
| C19 | C20 | C21 | H201 | 120.6° | 120.0° |
| C19 | C20 | C21 | H202 | 120.5° | 120.0° |
| C19 | C20 | H201 | H202 | 118.3° | 120.1° |
| C19 | C20 | C21 | C22 | 77.7° | 180.0° |
| C19 | C20 | C21 | H211 | 161.7° | 60.0° |
| C19 | C20 | C21 | H212 | 42.9° | 60.0° |
| C21 | C20 | H201 | H202 | 118.3° | 120.0° |
| C20 | C21 | C22 | H211 | 120.6° | 120.0° |
| C20 | C21 | C22 | H212 | 120.6° | 120.0° |
| C20 | C21 | H211 | H212 | 118.2° | 120.0° |
| C20 | C21 | C22 | C23 | 176.8° | 180.0° |
| C20 | C21 | C22 | H221 | 56.8° | 60.0° |
| C20 | C21 | C22 | H222 | 63.2° | 60.0° |
| H201 | C20 | C21 | C22 | 42.9° | 60.0° |
| H201 | C20 | C21 | H211 | 77.7° | 180.0° |
| H201 | C20 | C21 | H212 | 163.5° | 60.0° |
| H202 | C20 | C21 | C22 | 161.8° | 60.0° |
| H202 | C20 | C21 | H211 | 41.2° | 60.0° |
| H202 | C20 | C21 | H212 | 77.6° | 180.0° |
| C22 | C21 | H211 | H212 | 118.2° | 120.0° |
| C21 | C22 | C23 | H221 | 120.0° | 120.1° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 144.9° | 180.0° |
| C21 | C22 | C23 | H231 | 24.3° | 59.9° |
| C21 | C22 | C23 | H232 | 94.6° | 60.0° |
| H211 | C21 | C22 | C23 | 62.6° | 60.0° |
| H211 | C21 | C22 | H221 | 177.4° | 179.9° |
| H211 | C21 | C22 | H222 | 57.4° | 59.9° |
| H212 | C21 | C22 | C23 | 56.2° | 60.1° |
| H212 | C21 | C22 | H221 | 63.8° | 60.0° |
| H212 | C21 | C22 | H222 | 176.2° | NaN° |
| C23 | C22 | H221 | H222 | 120.1° | 120.0° |
| C22 | C23 | C24 | H231 | 120.6° | 120.0° |
| C22 | C23 | C24 | H232 | 120.6° | 120.0° |
| C22 | C23 | H231 | H232 | 118.2° | 119.9° |
| C22 | C23 | C24 | C25 | 89.5° | 180.0° |
| C22 | C23 | C24 | H241 | 31.1° | 60.0° |
| C22 | C23 | C24 | H242 | 150.0° | 60.0° |
| H221 | C22 | C23 | C24 | 95.2° | 60.0° |
| H221 | C22 | C23 | H231 | 144.3° | 180.0° |
| H221 | C22 | C23 | H232 | 25.4° | 60.1° |
| H222 | C22 | C23 | C24 | 24.9° | 60.0° |
| H222 | C22 | C23 | H231 | 95.7° | 60.0° |
| H222 | C22 | C23 | H232 | 145.4° | 180.0° |
| C24 | C23 | H231 | H232 | 118.2° | 120.0° |
| C23 | C24 | C25 | H241 | 120.5° | 119.9° |
| C23 | C24 | C25 | H242 | 120.5° | 120.0° |
| C23 | C24 | H241 | H242 | 118.4° | 120.0° |
| C23 | C24 | C25 | C26 | 172.1° | 180.0° |
| C23 | C24 | C25 | H251 | 51.9° | 60.0° |
| C23 | C24 | C25 | H252 | 67.6° | 60.0° |
| H231 | C23 | C24 | C25 | 150.0° | 60.0° |
| H231 | C23 | C24 | H241 | 89.5° | 180.0° |
| H231 | C23 | C24 | H242 | 29.4° | 60.1° |
| H232 | C23 | C24 | C25 | 31.1° | 60.0° |
| H232 | C23 | C24 | H241 | 151.7° | 60.0° |
| H232 | C23 | C24 | H242 | 89.4° | 180.0° |
| C25 | C24 | H241 | H242 | 118.4° | 120.1° |
| C24 | C25 | C26 | H251 | 120.3° | 120.0° |
| C24 | C25 | C26 | H252 | 120.3° | 120.0° |
| C24 | C25 | H251 | H252 | 119.2° | 120.0° |
| C24 | C25 | C26 | C27 | 162.1° | 180.0° |
| C24 | C25 | C26 | H261 | 77.9° | 60.0° |
| C24 | C25 | C26 | H262 | 42.0° | 60.0° |
| H241 | C24 | C25 | C26 | 67.3° | 60.0° |
| H241 | C24 | C25 | H251 | 172.4° | 180.0° |
| H241 | C24 | C25 | H252 | 53.0° | 59.9° |
| H242 | C24 | C25 | C26 | 51.6° | 60.0° |
| H242 | C24 | C25 | H251 | 68.7° | 60.0° |
| H242 | C24 | C25 | H252 | 171.9° | 180.0° |
| C26 | C25 | H251 | H252 | 119.2° | 120.0° |
| C25 | C26 | C27 | H261 | 120.0° | 120.1° |
| C25 | C26 | C27 | H262 | 120.1° | 120.0° |
| C25 | C26 | H261 | H262 | 119.8° | 120.0° |
| C25 | C26 | C27 | C28 | 166.7° | 180.0° |
| C25 | C26 | C27 | H271 | 46.3° | 59.9° |
| C25 | C26 | C27 | H272 | 73.0° | 60.0° |
| H251 | C25 | C26 | C27 | 41.8° | 60.0° |
| H251 | C25 | C26 | H261 | 161.9° | 179.9° |
| H251 | C25 | C26 | H262 | 78.3° | 59.9° |
| H252 | C25 | C26 | C27 | 77.6° | 60.1° |
| H252 | C25 | C26 | H261 | 42.4° | 60.0° |
| H252 | C25 | C26 | H262 | 162.3° | 180.0° |
| C27 | C26 | H261 | H262 | 119.8° | 120.0° |
| C26 | C27 | C28 | H271 | 120.3° | 120.0° |
| C26 | C27 | C28 | H272 | 120.4° | 120.0° |
| C26 | C27 | H271 | H272 | 119.0° | 119.9° |
| C26 | C27 | C28 | C29 | 176.7° | 180.0° |
| C26 | C27 | C28 | H281 | 56.5° | 60.0° |
| C26 | C27 | C28 | H282 | 63.0° | 60.0° |
| H261 | C26 | C27 | C28 | 73.3° | 60.0° |
| H261 | C26 | C27 | H271 | 166.4° | 180.0° |
| H261 | C26 | C27 | H272 | 47.0° | 60.1° |
| H262 | C26 | C27 | C28 | 46.6° | 60.0° |
| H262 | C26 | C27 | H271 | 73.7° | 60.0° |
| H262 | C26 | C27 | H272 | 166.9° | 180.0° |
| C28 | C27 | H271 | H272 | 118.9° | 120.0° |
| C27 | C28 | C29 | H281 | 120.2° | 120.0° |
| C27 | C28 | C29 | H282 | 120.2° | 120.0° |
| C27 | C28 | H281 | H282 | 119.3° | 120.1° |
| C27 | C28 | C29 | C30 | 78.2° | 180.0° |
| C27 | C28 | C29 | H291 | 42.5° | 60.1° |
| C27 | C28 | C29 | H292 | 161.2° | 60.0° |
| H271 | C27 | C28 | C29 | 63.0° | 60.0° |
| H271 | C27 | C28 | H281 | 176.8° | 180.0° |
| H271 | C27 | C28 | H282 | 57.3° | 60.0° |
| H272 | C27 | C28 | C29 | 56.4° | 60.0° |
| H272 | C27 | C28 | H281 | 63.9° | 60.0° |
| H272 | C27 | C28 | H282 | 176.6° | 180.0° |
| C29 | C28 | H281 | H282 | 119.3° | 120.0° |
| C28 | C29 | C30 | H291 | 120.7° | 120.0° |
| C28 | C29 | C30 | H292 | 120.6° | 120.0° |
| C28 | C29 | H291 | H292 | 117.9° | 120.0° |
| C28 | C29 | C30 | C31 | 81.2° | 180.0° |
| C28 | C29 | C30 | H301 | 39.0° | 60.0° |
| C28 | C29 | C30 | H302 | 158.6° | 60.0° |
| H281 | C28 | C29 | C30 | 161.6° | 60.0° |
| H281 | C28 | C29 | H291 | 77.7° | 180.0° |
| H281 | C28 | C29 | H292 | 41.0° | 60.0° |
| H282 | C28 | C29 | C30 | 42.1° | 60.0° |
| H282 | C28 | C29 | H291 | 162.7° | 60.0° |
| H282 | C28 | C29 | H292 | 78.6° | 180.0° |
| C30 | C29 | H291 | H292 | 117.9° | 120.0° |
| C29 | C30 | C31 | H301 | 120.2° | 120.1° |
| C29 | C30 | C31 | H302 | 120.2° | 120.0° |
| C29 | C30 | H301 | H302 | 119.4° | 120.0° |
| C29 | C30 | C31 | C32 | 166.5° | 180.0° |
| C29 | C30 | C31 | H311 | 46.1° | 59.9° |
| C29 | C30 | C31 | H312 | 73.0° | 60.0° |
| H291 | C29 | C30 | C31 | 158.1° | 60.0° |
| H291 | C29 | C30 | H301 | 81.7° | 180.0° |
| H291 | C29 | C30 | H302 | 37.9° | 60.0° |
| H292 | C29 | C30 | C31 | 39.4° | 60.1° |
| H292 | C29 | C30 | H301 | 159.6° | 60.0° |
| H292 | C29 | C30 | H302 | 80.8° | NaN° |
| C31 | C30 | H301 | H302 | 119.4° | 120.0° |
| C30 | C31 | C32 | H311 | 120.4° | 120.0° |
| C30 | C31 | C32 | H312 | 120.4° | 120.0° |
| C30 | C31 | H311 | H312 | 118.8° | 119.9° |
| C30 | C31 | C32 | C33 | 108.3° | 180.0° |
| C30 | C31 | C32 | H321 | 12.0° | 60.0° |
| C30 | C31 | C32 | H322 | 131.5° | 60.0° |
| H301 | C30 | C31 | C32 | 73.2° | 60.0° |
| H301 | C30 | C31 | H311 | 166.4° | 180.0° |
| H301 | C30 | C31 | H312 | 47.2° | 60.1° |
| H302 | C30 | C31 | C32 | 46.3° | 60.0° |
| H302 | C30 | C31 | H311 | 74.1° | 60.0° |
| H302 | C30 | C31 | H312 | 166.7° | 180.0° |
| C32 | C31 | H311 | H312 | 118.8° | 120.0° |
| C31 | C32 | C33 | H321 | 120.3° | 120.0° |
| C31 | C32 | C33 | H322 | 120.3° | 120.0° |
| C31 | C32 | H321 | H322 | 119.2° | 120.1° |
| C31 | C32 | C33 | C34 | 133.1° | 180.0° |
| C31 | C32 | C33 | H331 | 13.2° | 60.1° |
| C31 | C32 | C33 | H332 | 107.0° | 60.0° |
| H311 | C31 | C32 | C33 | 131.3° | 60.0° |
| H311 | C31 | C32 | H321 | 108.4° | 180.0° |
| H311 | C31 | C32 | H322 | 11.1° | 60.0° |
| H312 | C31 | C32 | C33 | 12.1° | 60.0° |
| H312 | C31 | C32 | H321 | 132.4° | 60.0° |
| H312 | C31 | C32 | H322 | 108.1° | 180.0° |
| C33 | C32 | H321 | H322 | 119.2° | 120.0° |
| C32 | C33 | C34 | H331 | 119.9° | 120.0° |
| C32 | C33 | C34 | H332 | 119.9° | 120.0° |
| C32 | C33 | H331 | H332 | 120.4° | 120.1° |
| C32 | C33 | C34 | C35 | 148.3° | 180.0° |
| C32 | C33 | C34 | H341 | 91.3° | 60.0° |
| C32 | C33 | C34 | H342 | 27.9° | 59.9° |
| H321 | C32 | C33 | C34 | 106.6° | 60.1° |
| H321 | C32 | C33 | H331 | 133.5° | 180.0° |
| H321 | C32 | C33 | H332 | 13.3° | 59.9° |
| H322 | C32 | C33 | C34 | 12.9° | 59.9° |
| H322 | C32 | C33 | H331 | 107.0° | 60.0° |
| H322 | C32 | C33 | H332 | 132.8° | 179.9° |
| C34 | C33 | H331 | H332 | 120.4° | 119.9° |
| C33 | C34 | C35 | H341 | 120.4° | 120.0° |
| C33 | C34 | C35 | H342 | 120.4° | 120.1° |
| C33 | C34 | H341 | H342 | 118.7° | 119.9° |
| C33 | C34 | C35 | C36 | 50.4° | 180.0° |
| C33 | C34 | C35 | H351 | 69.8° | 60.0° |
| C33 | C34 | C35 | H352 | 170.6° | 59.9° |
| H331 | C33 | C34 | C35 | 28.4° | 60.1° |
| H331 | C33 | C34 | H341 | 148.8° | 180.0° |
| H331 | C33 | C34 | H342 | 92.0° | 60.0° |
| H332 | C33 | C34 | C35 | 91.8° | 59.9° |
| H332 | C33 | C34 | H341 | 28.6° | 60.1° |
| H332 | C33 | C34 | H342 | 147.8° | 180.0° |
| C35 | C34 | H341 | H342 | 118.7° | 120.0° |
| C34 | C35 | C36 | H351 | 120.2° | 120.0° |
| C34 | C35 | C36 | H352 | 120.2° | 120.0° |
| C34 | C35 | H351 | H352 | 119.5° | 120.0° |
| C34 | C35 | C36 | C37 | 163.4° | 180.0° |
| C34 | C35 | C36 | H361 | 43.1° | 60.1° |
| C34 | C35 | C36 | H362 | 76.4° | 60.0° |
| H341 | C34 | C35 | C36 | 170.8° | 60.0° |
| H341 | C34 | C35 | H351 | 50.6° | 180.0° |
| H341 | C34 | C35 | H352 | 69.0° | 60.0° |
| H342 | C34 | C35 | C36 | 70.0° | 59.9° |
| H342 | C34 | C35 | H351 | 169.8° | 60.1° |
| H342 | C34 | C35 | H352 | 50.1° | 180.0° |
| C36 | C35 | H351 | H352 | 119.5° | 120.0° |
| C35 | C36 | C37 | H361 | 120.2° | 120.0° |
| C35 | C36 | C37 | H362 | 120.2° | 120.0° |
| C35 | C36 | H361 | H362 | 119.3° | 120.1° |
| C35 | C36 | C37 | C38 | 172.8° | 180.0° |
| C35 | C36 | C37 | H371 | 52.3° | 60.0° |
| C35 | C36 | C37 | H372 | 66.6° | 60.0° |
| H351 | C35 | C36 | C37 | 76.5° | 60.0° |
| H351 | C35 | C36 | H361 | 163.3° | 180.0° |
| H351 | C35 | C36 | H362 | 43.7° | 60.0° |
| H352 | C35 | C36 | C37 | 43.2° | 60.0° |
| H352 | C35 | C36 | H361 | 77.1° | 60.0° |
| H352 | C35 | C36 | H362 | 163.4° | 180.0° |
| C37 | C36 | H361 | H362 | 119.3° | 120.0° |
| C36 | C37 | C38 | H371 | 120.5° | 120.0° |
| C36 | C37 | C38 | H372 | 120.5° | 120.0° |
| C36 | C37 | H371 | H372 | 118.3° | 120.0° |
| C36 | C37 | C38 | C39 | 73.7° | 180.0° |
| C36 | C37 | C38 | H381 | 166.0° | 60.0° |
| C36 | C37 | C38 | H382 | 46.6° | 60.0° |
| H361 | C36 | C37 | C38 | 66.9° | 60.0° |
| H361 | C36 | C37 | H371 | 172.6° | 180.0° |
| H361 | C36 | C37 | H372 | 53.6° | 60.0° |
| H362 | C36 | C37 | C38 | 52.6° | 60.0° |
| H362 | C36 | C37 | H371 | 67.9° | 60.0° |
| H362 | C36 | C37 | H372 | 173.2° | 180.0° |
| C38 | C37 | H371 | H372 | 118.3° | 120.0° |
| C37 | C38 | C39 | H381 | 120.3° | 120.0° |
| C37 | C38 | C39 | H382 | 120.3° | 120.1° |
| C37 | C38 | H381 | H382 | 119.1° | 120.0° |
| C37 | C38 | C39 | C40 | 154.2° | 180.0° |
| C37 | C38 | C39 | H391 | 85.2° | 60.0° |
| C37 | C38 | C39 | H392 | 33.7° | 59.9° |
| H371 | C37 | C38 | C39 | 46.8° | 60.1° |
| H371 | C37 | C38 | H381 | 73.4° | 180.0° |
| H371 | C37 | C38 | H382 | 167.1° | 60.0° |
| H372 | C37 | C38 | C39 | 165.8° | 60.0° |
| H372 | C37 | C38 | H381 | 45.5° | 60.0° |
| H372 | C37 | C38 | H382 | 73.9° | 180.0° |
| C39 | C38 | H381 | H382 | 119.2° | 120.0° |
| C38 | C39 | C40 | H391 | 120.5° | 120.0° |
| C38 | C39 | C40 | H392 | 120.6° | 120.0° |
| C38 | C39 | H391 | H392 | 118.4° | 120.0° |
| C38 | C39 | C40 | C41 | 76.3° | 180.0° |
| C38 | C39 | C40 | H401 | 162.9° | 60.1° |
| C38 | C39 | C40 | H402 | 44.6° | 60.0° |
| H381 | C38 | C39 | C40 | 34.0° | 60.0° |
| H381 | C38 | C39 | H391 | 154.5° | 180.0° |
| H381 | C38 | C39 | H392 | 86.6° | 60.1° |
| H382 | C38 | C39 | C40 | 85.5° | 59.9° |
| H382 | C38 | C39 | H391 | 35.1° | 60.0° |
| H382 | C38 | C39 | H392 | 154.0° | 180.0° |
| C40 | C39 | H391 | H392 | 118.3° | 120.0° |
| C39 | C40 | C41 | H401 | 120.8° | 120.0° |
| C39 | C40 | C41 | H402 | 120.8° | 120.0° |
| C39 | C40 | H401 | H402 | 117.4° | 120.1° |
| C39 | C40 | C41 | C42 | 74.1° | 180.0° |
| C39 | C40 | C41 | H411 | 165.2° | 60.0° |
| C39 | C40 | C41 | H412 | 46.7° | 60.0° |
| H391 | C39 | C40 | C41 | 44.3° | 60.0° |
| H391 | C39 | C40 | H401 | 76.5° | 179.9° |
| H391 | C39 | C40 | H402 | 165.1° | 60.0° |
| H392 | C39 | C40 | C41 | 163.2° | 60.0° |
| H392 | C39 | C40 | H401 | 42.4° | 60.0° |
| H392 | C39 | C40 | H402 | 76.0° | 180.0° |
| C41 | C40 | H401 | H402 | 117.5° | 120.0° |
| C40 | C41 | C42 | H411 | 120.7° | 120.0° |
| C40 | C41 | C42 | H412 | 120.7° | 120.0° |
| C40 | C41 | H411 | H412 | 117.8° | 120.0° |
| C40 | C41 | C42 | C43 | 101.7° | 180.0° |
| C40 | C41 | C42 | H421 | 18.5° | 60.0° |
| C40 | C41 | C42 | H422 | 138.2° | 60.0° |
| H401 | C40 | C41 | C42 | 46.8° | 60.0° |
| H401 | C40 | C41 | H411 | 74.0° | 180.0° |
| H401 | C40 | C41 | H412 | 167.5° | 60.0° |
| H402 | C40 | C41 | C42 | 165.1° | 60.0° |
| H402 | C40 | C41 | H411 | 44.4° | 60.0° |
| H402 | C40 | C41 | H412 | 74.1° | NaN° |
| C42 | C41 | H411 | H412 | 117.8° | 120.1° |
| C41 | C42 | C43 | H421 | 120.2° | 120.0° |
| C41 | C42 | C43 | H422 | 120.1° | 120.1° |
| C41 | C42 | H421 | H422 | 119.5° | 120.0° |
| C41 | C42 | C43 | C44 | 151.0° | 180.0° |
| C41 | C42 | C43 | H431 | 30.7° | 60.0° |
| C41 | C42 | C43 | H432 | 88.8° | 59.9° |
| H411 | C41 | C42 | C43 | 137.6° | 60.1° |
| H411 | C41 | C42 | H421 | 102.2° | 180.0° |
| H411 | C41 | C42 | H422 | 17.5° | 60.0° |
| H412 | C41 | C42 | C43 | 19.0° | 60.0° |
| H412 | C41 | C42 | H421 | 139.2° | 60.0° |
| H412 | C41 | C42 | H422 | 101.1° | 180.0° |
| C43 | C42 | H421 | H422 | 119.6° | 120.0° |
| C42 | C43 | C44 | H431 | 120.3° | 120.0° |
| C42 | C43 | C44 | H432 | 120.3° | 120.1° |
| C42 | C43 | H431 | H432 | 119.1° | 120.0° |
| C42 | C43 | C44 | H441 | 180.0° | 60.1° |
| C42 | C43 | C44 | H442 | 60.0° | 59.9° |
| C42 | C43 | C44 | H443 | 60.0° | 180.0° |
| H421 | C42 | C43 | C44 | 88.9° | 60.0° |
| H421 | C42 | C43 | H431 | 150.8° | 180.0° |
| H421 | C42 | C43 | H432 | 31.4° | 60.1° |
| H422 | C42 | C43 | C44 | 30.8° | 59.9° |
| H422 | C42 | C43 | H431 | 89.5° | 60.0° |
| H422 | C42 | C43 | H432 | 151.1° | 180.0° |
| C44 | C43 | H431 | H432 | 119.1° | 119.9° |
| C43 | C44 | H441 | H442 | 120.0° | 120.0° |
| C43 | C44 | H441 | H443 | 120.0° | 120.0° |
| C43 | C44 | H442 | H443 | 120.0° | 120.0° |
| H431 | C43 | C44 | H441 | 59.7° | 180.0° |
| H431 | C43 | C44 | H442 | 179.7° | 60.1° |
| H431 | C43 | C44 | H443 | 60.3° | 60.0° |
| H432 | C43 | C44 | H441 | 59.7° | 60.0° |
| H432 | C43 | C44 | H442 | 60.3° | 180.0° |
| H432 | C43 | C44 | H443 | 179.7° | 59.9° |
| H441 | C44 | H442 | H443 | 120.0° | 120.1° |
