PLX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C6 | O7 | sing | 1.43Å | 1.44Å | |
| C6 | O6 | sing | 1.43Å | 1.46Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O6 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | O4 | sing | 1.43Å | 1.42Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O4 | P1 | sing | 1.61Å | 1.60Å | |
| P1 | O1 | sing | 1.61Å | 1.59Å | |
| P1 | O2 | doub | 1.48Å | 1.50Å | |
| P1 | O3 | sing | 1.61Å | 1.53Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.47Å | 1.48Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| N1 | C1C | sing | 1.47Å | 1.48Å | |
| N1 | C1B | sing | 1.47Å | 1.47Å | |
| N1 | C1A | sing | 1.47Å | 1.47Å | |
| C1C | H1C1 | sing | 1.09Å | 1.10Å | |
| C1C | H1C2 | sing | 1.09Å | 1.10Å | |
| C1C | H1C3 | sing | 1.09Å | 1.10Å | |
| C1B | H1B1 | sing | 1.09Å | 1.10Å | |
| C1B | H1B2 | sing | 1.09Å | 1.10Å | |
| C1B | H1B3 | sing | 1.09Å | 1.10Å | |
| C1A | H1A1 | sing | 1.09Å | 1.10Å | |
| C1A | H1A2 | sing | 1.09Å | 1.10Å | |
| C1A | H1A3 | sing | 1.09Å | 1.10Å | |
| C5 | O8 | sing | 1.43Å | 1.43Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| O8 | C24 | sing | 1.43Å | 1.45Å | |
| C24 | O9 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| 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 | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| 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 | 1.54Å | |
| 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 | 1.54Å | |
| 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 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C23 | C22 | C21 | 111.9° | 109.5° |
| C23 | C22 | H221 | 108.7° | 109.4° |
| C23 | C22 | H222 | 108.1° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| C21 | C22 | H221 | 108.6° | 109.5° |
| C21 | C22 | H222 | 108.1° | 109.5° |
| C22 | C21 | C20 | 112.0° | 109.5° |
| C22 | C21 | H211 | 108.6° | 109.5° |
| C22 | C21 | H212 | 108.0° | 109.5° |
| H221 | C22 | H222 | 111.5° | 109.4° |
| C20 | C21 | H211 | 108.6° | 109.5° |
| C20 | C21 | H212 | 108.1° | 109.5° |
| C21 | C20 | C19 | 111.1° | 109.5° |
| C21 | C20 | H201 | 108.9° | 109.4° |
| C21 | C20 | H202 | 108.6° | 109.4° |
| H211 | C21 | H212 | 111.5° | 109.4° |
| C19 | C20 | H201 | 109.0° | 109.5° |
| C19 | C20 | H202 | 108.6° | 109.5° |
| C20 | C19 | C18 | 111.9° | 109.4° |
| C20 | C19 | H191 | 108.7° | 109.5° |
| C20 | C19 | H192 | 108.1° | 109.4° |
| H201 | C20 | H202 | 110.7° | 109.5° |
| C18 | C19 | H191 | 108.6° | 109.5° |
| C18 | C19 | H192 | 108.1° | 109.5° |
| C19 | C18 | C17 | 112.8° | 109.4° |
| C19 | C18 | H181 | 108.4° | 109.5° |
| C19 | C18 | H182 | 107.6° | 109.5° |
| H191 | C19 | H192 | 111.4° | 109.5° |
| C17 | C18 | H181 | 108.4° | 109.4° |
| C17 | C18 | H182 | 107.6° | 109.4° |
| C18 | C17 | C16 | 112.9° | 109.5° |
| C18 | C17 | H171 | 108.3° | 109.5° |
| C18 | C17 | H172 | 107.6° | 109.5° |
| H181 | C18 | H182 | 112.1° | 109.5° |
| C16 | C17 | H171 | 108.4° | 109.5° |
| C16 | C17 | H172 | 107.6° | 109.4° |
| C17 | C16 | C15 | 112.1° | 109.5° |
| C17 | C16 | H161 | 108.6° | 109.5° |
| C17 | C16 | H162 | 108.0° | 109.5° |
| H171 | C17 | H172 | 112.2° | 109.5° |
| C15 | C16 | H161 | 108.6° | 109.4° |
| C15 | C16 | H162 | 108.0° | 109.5° |
| C16 | C15 | C14 | 111.7° | 109.5° |
| C16 | C15 | H151 | 108.7° | 109.4° |
| C16 | C15 | H152 | 108.2° | 109.5° |
| H161 | C16 | H162 | 111.6° | 109.5° |
| C14 | C15 | H151 | 108.7° | 109.5° |
| C14 | C15 | H152 | 108.2° | 109.5° |
| C15 | C14 | C13 | 111.9° | 109.5° |
| C15 | C14 | H141 | 108.7° | 109.5° |
| C15 | C14 | H142 | 108.1° | 109.4° |
| H151 | C15 | H152 | 111.3° | 109.5° |
| C13 | C14 | H141 | 108.7° | 109.5° |
| C13 | C14 | H142 | 108.1° | 109.5° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C14 | C13 | H131 | 108.7° | 109.5° |
| C14 | C13 | H132 | 108.3° | 109.5° |
| H141 | C14 | H142 | 111.4° | 109.5° |
| C12 | C13 | H131 | 108.8° | 109.5° |
| C12 | C13 | H132 | 108.3° | 109.4° |
| C13 | C12 | C11 | 112.2° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.5° |
| C13 | C12 | H122 | 107.9° | 109.5° |
| H131 | C13 | H132 | 111.2° | 109.5° |
| C11 | C12 | H121 | 108.6° | 109.5° |
| C11 | C12 | H122 | 107.9° | 109.5° |
| C12 | C11 | C10 | 111.5° | 109.5° |
| C12 | C11 | H111 | 108.8° | 109.5° |
| C12 | C11 | H112 | 108.3° | 109.5° |
| H121 | C12 | H122 | 111.7° | 109.5° |
| C10 | C11 | H111 | 108.8° | 109.4° |
| C10 | C11 | H112 | 108.3° | 109.5° |
| C11 | C10 | C9 | 112.9° | 109.4° |
| C11 | C10 | H101 | 108.4° | 109.4° |
| C11 | C10 | H102 | 107.6° | 109.5° |
| H111 | C11 | H112 | 111.1° | 109.5° |
| C9 | C10 | H101 | 108.3° | 109.5° |
| C9 | C10 | H102 | 107.6° | 109.5° |
| C10 | C9 | C8 | 110.6° | 109.5° |
| C10 | C9 | H91 | 109.1° | 109.5° |
| C10 | C9 | H92 | 108.9° | 109.5° |
| H101 | C10 | H102 | 112.2° | 109.5° |
| C8 | C9 | H91 | 109.1° | 109.5° |
| C8 | C9 | H92 | 108.9° | 109.5° |
| C9 | C8 | C7 | 111.3° | 109.5° |
| C9 | C8 | H81 | 108.9° | 109.5° |
| C9 | C8 | H82 | 108.5° | 109.5° |
| H91 | C9 | H92 | 110.3° | 109.5° |
| C7 | C8 | H81 | 108.9° | 109.5° |
| C7 | C8 | H82 | 108.5° | 109.5° |
| C8 | C7 | C6 | 113.2° | 109.5° |
| C8 | C7 | H71 | 108.3° | 109.5° |
| C8 | C7 | H72 | 107.4° | 109.5° |
| H81 | C8 | H82 | 110.9° | 109.4° |
| C6 | C7 | H71 | 108.2° | 109.5° |
| C6 | C7 | H72 | 107.4° | 109.4° |
| C7 | C6 | O7 | 112.0° | 109.5° |
| C7 | C6 | O6 | 112.1° | 109.5° |
| C7 | C6 | H6 | 107.3° | 109.5° |
| H71 | C7 | H72 | 112.4° | 109.5° |
| O7 | C6 | O6 | 113.4° | 109.5° |
| O7 | C6 | H6 | 105.8° | 109.4° |
| C6 | O7 | HO7 | 109.5° | 114.0° |
| O6 | C6 | H6 | 105.7° | 109.5° |
| C6 | O6 | C4 | 117.0° | 114.0° |
| O6 | C4 | C3 | 110.8° | 109.5° |
| O6 | C4 | C5 | 109.8° | 109.5° |
| O6 | C4 | H4 | 108.0° | 109.5° |
| C3 | C4 | C5 | 108.1° | 109.5° |
| C3 | C4 | H4 | 109.6° | 109.4° |
| C4 | C3 | O4 | 111.3° | 109.4° |
| C4 | C3 | H31 | 108.9° | 109.4° |
| C4 | C3 | H32 | 108.4° | 109.5° |
| C5 | C4 | H4 | 110.6° | 109.4° |
| C4 | C5 | O8 | 111.3° | 109.4° |
| C4 | C5 | H51 | 108.9° | 109.5° |
| C4 | C5 | H52 | 108.4° | 109.5° |
| O4 | C3 | H31 | 108.9° | 109.5° |
| O4 | C3 | H32 | 108.4° | 109.5° |
| C3 | O4 | P1 | 117.1° | 123.0° |
| H31 | C3 | H32 | 110.9° | 109.5° |
| O4 | P1 | O1 | 101.2° | 109.5° |
| O4 | P1 | O2 | 108.7° | 109.5° |
| O4 | P1 | O3 | 112.8° | 109.5° |
| O1 | P1 | O2 | 110.5° | 109.5° |
| O1 | P1 | O3 | 115.7° | 109.4° |
| P1 | O1 | C2 | 115.5° | 123.1° |
| O2 | P1 | O3 | 107.7° | 109.4° |
| P1 | O3 | HO3 | 109.5° | 114.0° |
| O1 | C2 | C1 | 110.3° | 109.5° |
| O1 | C2 | H21 | 109.2° | 109.5° |
| O1 | C2 | H22 | 109.0° | 109.4° |
| C1 | C2 | H21 | 109.2° | 109.5° |
| C1 | C2 | H22 | 109.0° | 109.5° |
| C2 | C1 | N1 | 113.4° | 109.5° |
| C2 | C1 | H11 | 108.2° | 109.5° |
| C2 | C1 | H12 | 107.3° | 109.5° |
| H21 | C2 | H22 | 110.1° | 109.5° |
| N1 | C1 | H11 | 108.2° | 109.4° |
| N1 | C1 | H12 | 107.3° | 109.5° |
| C1 | N1 | C1C | 113.7° | 109.4° |
| C1 | N1 | C1B | 109.7° | 109.5° |
| C1 | N1 | C1A | 108.2° | 109.4° |
| H11 | C1 | H12 | 112.6° | 109.4° |
| C1C | N1 | C1B | 108.7° | 109.5° |
| C1C | N1 | C1A | 107.6° | 109.5° |
| N1 | C1C | H1C1 | 109.5° | 109.5° |
| N1 | C1C | H1C2 | 109.5° | 109.4° |
| N1 | C1C | H1C3 | 109.4° | 109.5° |
| C1B | N1 | C1A | 108.8° | 109.5° |
| N1 | C1B | H1B1 | 109.5° | 109.5° |
| N1 | C1B | H1B2 | 109.5° | 109.5° |
| N1 | C1B | H1B3 | 109.4° | 109.5° |
| N1 | C1A | H1A1 | 109.5° | 109.5° |
| N1 | C1A | H1A2 | 109.5° | 109.4° |
| N1 | C1A | H1A3 | 109.5° | 109.5° |
| H1C1 | C1C | H1C2 | 109.4° | 109.5° |
| H1C1 | C1C | H1C3 | 109.4° | 109.5° |
| H1C2 | C1C | H1C3 | 109.5° | 109.5° |
| H1B1 | C1B | H1B2 | 109.4° | 109.4° |
| H1B1 | C1B | H1B3 | 109.5° | 109.5° |
| H1B2 | C1B | H1B3 | 109.5° | 109.5° |
| H1A1 | C1A | H1A2 | 109.5° | 109.5° |
| H1A1 | C1A | H1A3 | 109.4° | 109.5° |
| H1A2 | C1A | H1A3 | 109.5° | 109.4° |
| O8 | C5 | H51 | 108.8° | 109.4° |
| O8 | C5 | H52 | 108.5° | 109.5° |
| C5 | O8 | C24 | 114.9° | 114.0° |
| H51 | C5 | H52 | 110.9° | 109.5° |
| O8 | C24 | O9 | 113.1° | 109.4° |
| O8 | C24 | C25 | 109.8° | 109.4° |
| O8 | C24 | H24 | 106.7° | 109.4° |
| O9 | C24 | C25 | 109.6° | 109.5° |
| O9 | C24 | H24 | 107.0° | 109.5° |
| C24 | O9 | HO9 | 109.5° | 114.0° |
| C25 | C24 | H24 | 110.5° | 109.5° |
| C24 | C25 | C26 | 110.6° | 109.5° |
| C24 | C25 | H251 | 109.1° | 109.5° |
| C24 | C25 | H252 | 108.8° | 109.5° |
| C26 | C25 | H251 | 109.1° | 109.5° |
| C26 | C25 | H252 | 108.8° | 109.4° |
| C25 | C26 | C27 | 113.0° | 109.5° |
| C25 | C26 | H261 | 108.3° | 109.5° |
| C25 | C26 | H262 | 107.5° | 109.4° |
| H251 | C25 | H252 | 110.4° | 109.4° |
| C27 | C26 | H261 | 108.3° | 109.5° |
| C27 | C26 | H262 | 107.5° | 109.5° |
| C26 | C27 | C28 | 109.5° | 109.5° |
| C26 | C27 | H271 | 109.5° | 109.5° |
| C26 | C27 | H272 | 109.5° | 109.5° |
| H261 | C26 | H262 | 112.3° | 109.5° |
| C28 | C27 | H271 | 109.5° | 109.5° |
| C28 | C27 | H272 | 109.5° | 109.5° |
| C27 | C28 | C29 | 112.5° | 109.4° |
| C27 | C28 | H281 | 108.5° | 109.4° |
| C27 | C28 | H282 | 107.8° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| C29 | C28 | H281 | 108.5° | 109.5° |
| C29 | C28 | H282 | 107.8° | 109.5° |
| C28 | C29 | C30 | 112.4° | 109.5° |
| C28 | C29 | H291 | 108.5° | 109.5° |
| C28 | C29 | H292 | 107.8° | 109.5° |
| H281 | C28 | H282 | 111.9° | 109.5° |
| C30 | C29 | H291 | 108.5° | 109.4° |
| C30 | C29 | H292 | 107.9° | 109.4° |
| C29 | C30 | C31 | 112.4° | 109.5° |
| C29 | C30 | H301 | 108.5° | 109.5° |
| C29 | C30 | H302 | 107.9° | 109.5° |
| H291 | C29 | H292 | 111.8° | 109.5° |
| C31 | C30 | H301 | 108.5° | 109.5° |
| C31 | C30 | H302 | 107.9° | 109.5° |
| C30 | C31 | C32 | 112.5° | 109.5° |
| C30 | C31 | H311 | 108.5° | 109.5° |
| C30 | C31 | H312 | 107.8° | 109.5° |
| H301 | C30 | H302 | 111.7° | 109.4° |
| C32 | C31 | H311 | 108.5° | 109.4° |
| C32 | C31 | H312 | 107.8° | 109.5° |
| C31 | C32 | C33 | 111.2° | 109.5° |
| C31 | C32 | H321 | 108.9° | 109.5° |
| C31 | C32 | H322 | 108.5° | 109.4° |
| H311 | C31 | H312 | 111.8° | 109.5° |
| C33 | C32 | H321 | 108.9° | 109.5° |
| C33 | C32 | H322 | 108.5° | 109.5° |
| C32 | C33 | C34 | 111.8° | 109.5° |
| C32 | C33 | H331 | 108.7° | 109.4° |
| C32 | C33 | H332 | 108.1° | 109.5° |
| H321 | C32 | H322 | 110.8° | 109.4° |
| C34 | C33 | H331 | 108.7° | 109.5° |
| C34 | C33 | H332 | 108.2° | 109.5° |
| C33 | C34 | C35 | 111.7° | 109.5° |
| C33 | C34 | H341 | 108.7° | 109.4° |
| C33 | C34 | H342 | 108.3° | 109.5° |
| H331 | C33 | H332 | 111.4° | 109.5° |
| C35 | C34 | H341 | 108.7° | 109.5° |
| C35 | C34 | H342 | 108.2° | 109.5° |
| C34 | C35 | C36 | 111.5° | 109.5° |
| C34 | C35 | H351 | 108.8° | 109.5° |
| C34 | C35 | H352 | 108.3° | 109.5° |
| H341 | C34 | H342 | 111.2° | 109.5° |
| C36 | C35 | H351 | 108.8° | 109.5° |
| C36 | C35 | H352 | 108.3° | 109.4° |
| C35 | C36 | C37 | 111.6° | 109.5° |
| C35 | C36 | H361 | 108.7° | 109.5° |
| C35 | C36 | H362 | 108.3° | 109.5° |
| H351 | C35 | H352 | 111.1° | 109.5° |
| C37 | C36 | H361 | 108.8° | 109.5° |
| C37 | C36 | H362 | 108.3° | 109.5° |
| C36 | C37 | C38 | 111.3° | 109.5° |
| C36 | C37 | H371 | 108.9° | 109.5° |
| C36 | C37 | H372 | 108.5° | 109.5° |
| H361 | C36 | H362 | 111.2° | 109.4° |
| C38 | C37 | H371 | 108.9° | 109.4° |
| C38 | C37 | H372 | 108.5° | 109.4° |
| C37 | C38 | C39 | 111.7° | 109.5° |
| C37 | C38 | H381 | 108.8° | 109.5° |
| C37 | C38 | H382 | 108.2° | 109.4° |
| H371 | C37 | H372 | 110.9° | 109.5° |
| C39 | C38 | H381 | 108.7° | 109.5° |
| C39 | C38 | H382 | 108.2° | 109.5° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H392 | 109.4° | 109.5° |
| C38 | C39 | H393 | 109.4° | 109.5° |
| H381 | C38 | H382 | 111.2° | 109.4° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H232 | H233 | 120.0° | 120.0° |
| C23 | C22 | C21 | H221 | 120.0° | 120.0° |
| C23 | C22 | C21 | H222 | 118.9° | 120.0° |
| C23 | C22 | H221 | H222 | 119.0° | 120.0° |
| C23 | C22 | C21 | C20 | 97.4° | 180.0° |
| C23 | C22 | C21 | H211 | 142.6° | 60.0° |
| C23 | C22 | C21 | H212 | 21.5° | 60.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H231 | C23 | C22 | C21 | 67.9° | 60.0° |
| H231 | C23 | C22 | H221 | 172.1° | 60.0° |
| H231 | C23 | C22 | H222 | 51.0° | 180.0° |
| H232 | C23 | C22 | C21 | 172.1° | 60.0° |
| H232 | C23 | C22 | H221 | 52.1° | 180.0° |
| H232 | C23 | C22 | H222 | 69.0° | 60.0° |
| H233 | C23 | C22 | C21 | 52.0° | 180.0° |
| H233 | C23 | C22 | H221 | 68.0° | 60.0° |
| H233 | C23 | C22 | H222 | 170.9° | 60.0° |
| C21 | C22 | H221 | H222 | 119.0° | 120.0° |
| C22 | C21 | C20 | H211 | 120.0° | 120.0° |
| C22 | C21 | C20 | H212 | 118.9° | 120.0° |
| C22 | C21 | H211 | H212 | 118.9° | 120.0° |
| C22 | C21 | C20 | C19 | 145.0° | 180.0° |
| C22 | C21 | C20 | H201 | 25.0° | 60.0° |
| C22 | C21 | C20 | H202 | 95.7° | 60.0° |
| H221 | C22 | C21 | C20 | 22.6° | 60.0° |
| H221 | C22 | C21 | H211 | 97.4° | 180.0° |
| H221 | C22 | C21 | H212 | 141.5° | 60.0° |
| H222 | C22 | C21 | C20 | 143.7° | 60.0° |
| H222 | C22 | C21 | H211 | 23.7° | 60.0° |
| H222 | C22 | C21 | H212 | 97.4° | 180.0° |
| C20 | C21 | H211 | H212 | 119.0° | 120.0° |
| C21 | C20 | C19 | H201 | 120.0° | 119.9° |
| C21 | C20 | C19 | H202 | 119.3° | 120.0° |
| C21 | C20 | H201 | H202 | 119.3° | 120.0° |
| C21 | C20 | C19 | C18 | 177.0° | 180.0° |
| C21 | C20 | C19 | H191 | 63.1° | 60.0° |
| C21 | C20 | C19 | H192 | 58.0° | 60.0° |
| H211 | C21 | C20 | C19 | 95.0° | 60.0° |
| H211 | C21 | C20 | H201 | 145.0° | 179.9° |
| H211 | C21 | C20 | H202 | 24.3° | 60.0° |
| H212 | C21 | C20 | C19 | 26.1° | 60.0° |
| H212 | C21 | C20 | H201 | 93.9° | 60.0° |
| H212 | C21 | C20 | H202 | 145.4° | 180.0° |
| C19 | C20 | H201 | H202 | 119.3° | 120.0° |
| C20 | C19 | C18 | H191 | 120.0° | 120.0° |
| C20 | C19 | C18 | H192 | 118.9° | 120.0° |
| C20 | C19 | H191 | H192 | 119.0° | 119.9° |
| C20 | C19 | C18 | C17 | 151.1° | NaN° |
| C20 | C19 | C18 | H181 | 88.8° | 60.1° |
| C20 | C19 | C18 | H182 | 32.6° | 60.0° |
| H201 | C20 | C19 | C18 | 56.9° | 60.1° |
| H201 | C20 | C19 | H191 | 176.9° | 179.9° |
| H201 | C20 | C19 | H192 | 62.0° | 60.0° |
| H202 | C20 | C19 | C18 | 63.7° | 60.0° |
| H202 | C20 | C19 | H191 | 56.2° | 60.0° |
| H202 | C20 | C19 | H192 | 177.3° | 180.0° |
| C18 | C19 | H191 | H192 | 119.0° | 120.1° |
| C19 | C18 | C17 | H181 | 120.0° | 120.0° |
| C19 | C18 | C17 | H182 | 118.5° | 120.0° |
| C19 | C18 | H181 | H182 | 118.6° | 120.1° |
| C19 | C18 | C17 | C16 | 97.1° | 180.0° |
| C19 | C18 | C17 | H171 | 142.8° | 60.0° |
| C19 | C18 | C17 | H172 | 21.4° | 60.0° |
| H191 | C19 | C18 | C17 | 31.1° | 60.0° |
| H191 | C19 | C18 | H181 | 151.2° | 179.9° |
| H191 | C19 | C18 | H182 | 87.4° | 60.0° |
| H192 | C19 | C18 | C17 | 89.9° | 60.0° |
| H192 | C19 | C18 | H181 | 30.1° | 59.9° |
| H192 | C19 | C18 | H182 | 151.5° | 180.0° |
| C17 | C18 | H181 | H182 | 118.6° | 119.9° |
| C18 | C17 | C16 | H171 | 120.0° | 120.0° |
| C18 | C17 | C16 | H172 | 118.5° | 120.0° |
| C18 | C17 | H171 | H172 | 118.6° | 120.0° |
| C18 | C17 | C16 | C15 | 100.8° | 180.0° |
| C18 | C17 | C16 | H161 | 19.1° | 60.0° |
| C18 | C17 | C16 | H162 | 140.3° | 60.0° |
| H181 | C18 | C17 | C16 | 22.9° | 60.0° |
| H181 | C18 | C17 | H171 | 97.2° | 180.0° |
| H181 | C18 | C17 | H172 | 141.4° | 60.0° |
| H182 | C18 | C17 | C16 | 144.3° | 60.0° |
| H182 | C18 | C17 | H171 | 24.3° | 60.0° |
| H182 | C18 | C17 | H172 | 97.1° | 180.0° |
| C16 | C17 | H171 | H172 | 118.6° | 120.0° |
| C17 | C16 | C15 | H161 | 120.0° | 120.0° |
| C17 | C16 | C15 | H162 | 118.9° | 120.0° |
| C17 | C16 | H161 | H162 | 118.9° | 120.0° |
| C17 | C16 | C15 | C14 | 114.7° | NaN° |
| C17 | C16 | C15 | H151 | 125.3° | 60.0° |
| C17 | C16 | C15 | H152 | 4.3° | 60.0° |
| H171 | C17 | C16 | C15 | 139.2° | 60.0° |
| H171 | C17 | C16 | H161 | 100.9° | 180.0° |
| H171 | C17 | C16 | H162 | 20.3° | 60.0° |
| H172 | C17 | C16 | C15 | 17.7° | 60.0° |
| H172 | C17 | C16 | H161 | 137.7° | 60.0° |
| H172 | C17 | C16 | H162 | 101.2° | 180.0° |
| C15 | C16 | H161 | H162 | 118.9° | 120.0° |
| C16 | C15 | C14 | H151 | 120.0° | 120.0° |
| C16 | C15 | C14 | H152 | 119.0° | 120.0° |
| C16 | C15 | H151 | H152 | 119.1° | 120.0° |
| C16 | C15 | C14 | C13 | 145.1° | 180.0° |
| C16 | C15 | C14 | H141 | 94.9° | 60.0° |
| C16 | C15 | C14 | H142 | 26.2° | 60.0° |
| H161 | C16 | C15 | C14 | 5.3° | 60.0° |
| H161 | C16 | C15 | H151 | 114.7° | NaN° |
| H161 | C16 | C15 | H152 | 124.3° | 60.0° |
| H162 | C16 | C15 | C14 | 126.4° | 60.0° |
| H162 | C16 | C15 | H151 | 6.4° | 60.0° |
| H162 | C16 | C15 | H152 | 114.5° | 180.0° |
| C14 | C15 | H151 | H152 | 119.1° | 120.0° |
| C15 | C14 | C13 | H141 | 120.0° | 120.0° |
| C15 | C14 | C13 | H142 | 118.9° | 120.0° |
| C15 | C14 | H141 | H142 | 119.0° | 120.0° |
| C15 | C14 | C13 | C12 | 95.3° | NaN° |
| C15 | C14 | C13 | H131 | 24.7° | 60.0° |
| C15 | C14 | C13 | H132 | 145.6° | 60.0° |
| H151 | C15 | C14 | C13 | 25.1° | 60.0° |
| H151 | C15 | C14 | H141 | 145.1° | 180.0° |
| H151 | C15 | C14 | H142 | 93.9° | 60.0° |
| H152 | C15 | C14 | C13 | 95.9° | 60.0° |
| H152 | C15 | C14 | H141 | 24.1° | 60.0° |
| H152 | C15 | C14 | H142 | 145.2° | 180.0° |
| C13 | C14 | H141 | H142 | 119.0° | 120.0° |
| C14 | C13 | C12 | H131 | 120.0° | 120.0° |
| C14 | C13 | C12 | H132 | 119.1° | 120.0° |
| C14 | C13 | H131 | H132 | 119.1° | 120.0° |
| C14 | C13 | C12 | C11 | 154.8° | 180.0° |
| C14 | C13 | C12 | H121 | 85.2° | 60.0° |
| C14 | C13 | C12 | H122 | 36.0° | 60.0° |
| H141 | C14 | C13 | C12 | 144.7° | 60.0° |
| H141 | C14 | C13 | H131 | 95.3° | 180.0° |
| H141 | C14 | C13 | H132 | 25.6° | 60.0° |
| H142 | C14 | C13 | C12 | 23.6° | 60.0° |
| H142 | C14 | C13 | H131 | 143.6° | 60.0° |
| H142 | C14 | C13 | H132 | 95.5° | NaN° |
| C12 | C13 | H131 | H132 | 119.2° | 120.0° |
| C13 | C12 | C11 | H121 | 120.0° | 120.0° |
| C13 | C12 | C11 | H122 | 118.8° | 120.0° |
| C13 | C12 | H121 | H122 | 118.9° | 120.0° |
| C13 | C12 | C11 | C10 | 150.5° | 180.0° |
| C13 | C12 | C11 | H111 | 30.5° | 60.1° |
| C13 | C12 | C11 | H112 | 90.3° | 60.0° |
| H131 | C13 | C12 | C11 | 34.8° | 60.0° |
| H131 | C13 | C12 | H121 | 154.8° | 180.0° |
| H131 | C13 | C12 | H122 | 84.0° | 60.0° |
| H132 | C13 | C12 | C11 | 86.1° | 60.0° |
| H132 | C13 | C12 | H121 | 33.9° | 60.0° |
| H132 | C13 | C12 | H122 | 155.1° | 180.0° |
| C11 | C12 | H121 | H122 | 118.9° | 120.0° |
| C12 | C11 | C10 | H111 | 120.0° | 119.9° |
| C12 | C11 | C10 | H112 | 119.1° | 120.0° |
| C12 | C11 | H111 | H112 | 119.1° | 120.0° |
| C12 | C11 | C10 | C9 | 94.6° | 180.0° |
| C12 | C11 | C10 | H101 | 25.4° | 60.0° |
| C12 | C11 | C10 | H102 | 146.9° | 60.0° |
| H121 | C12 | C11 | C10 | 89.5° | 60.0° |
| H121 | C12 | C11 | H111 | 150.5° | 179.9° |
| H121 | C12 | C11 | H112 | 29.7° | 60.0° |
| H122 | C12 | C11 | C10 | 31.7° | 60.0° |
| H122 | C12 | C11 | H111 | 88.3° | 60.0° |
| H122 | C12 | C11 | H112 | 150.9° | 180.0° |
| C10 | C11 | H111 | H112 | 119.2° | 120.0° |
| C11 | C10 | C9 | H101 | 120.0° | 119.9° |
| C11 | C10 | C9 | H102 | 118.5° | 120.0° |
| C11 | C10 | H101 | H102 | 118.6° | 120.0° |
| C11 | C10 | C9 | C8 | 109.6° | 180.0° |
| C11 | C10 | C9 | H91 | 10.4° | 60.0° |
| C11 | C10 | C9 | H92 | 130.9° | 60.0° |
| H111 | C11 | C10 | C9 | 145.4° | 60.1° |
| H111 | C11 | C10 | H101 | 94.6° | 180.0° |
| H111 | C11 | C10 | H102 | 26.9° | 59.9° |
| H112 | C11 | C10 | C9 | 24.5° | 60.0° |
| H112 | C11 | C10 | H101 | 144.5° | 60.0° |
| H112 | C11 | C10 | H102 | 94.0° | 180.0° |
| C9 | C10 | H101 | H102 | 118.6° | 120.1° |
| C10 | C9 | C8 | H91 | 120.0° | 120.0° |
| C10 | C9 | C8 | H92 | 119.5° | 120.0° |
| C10 | C9 | H91 | H92 | 119.5° | 120.0° |
| C10 | C9 | C8 | C7 | 140.3° | 180.0° |
| C10 | C9 | C8 | H81 | 99.7° | 60.0° |
| C10 | C9 | C8 | H82 | 21.1° | 60.0° |
| H101 | C10 | C9 | C8 | 130.4° | 60.1° |
| H101 | C10 | C9 | H91 | 109.6° | 180.0° |
| H101 | C10 | C9 | H92 | 10.9° | 60.0° |
| H102 | C10 | C9 | C8 | 8.9° | 60.0° |
| H102 | C10 | C9 | H91 | 128.9° | 60.0° |
| H102 | C10 | C9 | H92 | 110.6° | 180.0° |
| C8 | C9 | H91 | H92 | 119.6° | 120.0° |
| C9 | C8 | C7 | H81 | 120.0° | 120.0° |
| C9 | C8 | C7 | H82 | 119.2° | 120.0° |
| C9 | C8 | H81 | H82 | 119.2° | 120.0° |
| C9 | C8 | C7 | C6 | 107.7° | NaN° |
| C9 | C8 | C7 | H71 | 12.3° | 60.0° |
| C9 | C8 | C7 | H72 | 133.9° | 60.0° |
| H91 | C9 | C8 | C7 | 20.3° | 60.0° |
| H91 | C9 | C8 | H81 | 140.3° | 180.0° |
| H91 | C9 | C8 | H82 | 98.9° | 60.0° |
| H92 | C9 | C8 | C7 | 100.1° | 60.0° |
| H92 | C9 | C8 | H81 | 19.9° | 60.0° |
| H92 | C9 | C8 | H82 | 140.6° | NaN° |
| C7 | C8 | H81 | H82 | 119.3° | 120.0° |
| C8 | C7 | C6 | H71 | 120.0° | 120.0° |
| C8 | C7 | C6 | H72 | 118.4° | 120.0° |
| C8 | C7 | H71 | H72 | 118.5° | 120.0° |
| C8 | C7 | C6 | O7 | 103.2° | 65.0° |
| C8 | C7 | C6 | O6 | 128.1° | 175.0° |
| C8 | C7 | C6 | H6 | 12.5° | 55.0° |
| H81 | C8 | C7 | C6 | 132.3° | 60.0° |
| H81 | C8 | C7 | H71 | 107.7° | 180.0° |
| H81 | C8 | C7 | H72 | 13.9° | 60.0° |
| H82 | C8 | C7 | C6 | 11.5° | 60.0° |
| H82 | C8 | C7 | H71 | 131.5° | 60.0° |
| H82 | C8 | C7 | H72 | 106.8° | 180.0° |
| C6 | C7 | H71 | H72 | 118.4° | 120.0° |
| C7 | C6 | O7 | O6 | 128.0° | 120.0° |
| C7 | C6 | O7 | H6 | 116.6° | 120.0° |
| C7 | C6 | O6 | H6 | 116.6° | 120.0° |
| C7 | C6 | O7 | HO7 | 73.1° | 60.0° |
| C7 | C6 | O6 | C4 | 89.0° | 175.0° |
| H71 | C7 | C6 | O7 | 16.9° | 55.0° |
| H71 | C7 | C6 | O6 | 111.8° | 65.0° |
| H71 | C7 | C6 | H6 | 132.6° | 175.0° |
| H72 | C7 | C6 | O7 | 138.4° | 175.0° |
| H72 | C7 | C6 | O6 | 9.7° | 55.0° |
| H72 | C7 | C6 | H6 | 105.9° | 65.0° |
| O7 | C6 | O6 | H6 | 115.5° | 120.0° |
| O7 | C6 | O6 | C4 | 39.0° | 65.0° |
| O6 | C6 | O7 | HO7 | 54.9° | 60.0° |
| C6 | O6 | C4 | C3 | 115.5° | 90.0° |
| C6 | O6 | C4 | C5 | 125.2° | 150.0° |
| C6 | O6 | C4 | H4 | 4.5° | 30.0° |
| H6 | C6 | O7 | HO7 | 170.3° | 180.0° |
| H6 | C6 | O6 | C4 | 154.5° | 55.0° |
| O6 | C4 | C3 | C5 | 120.3° | 120.1° |
| O6 | C4 | C3 | H4 | 119.0° | 120.0° |
| O6 | C4 | C5 | H4 | 119.0° | 120.0° |
| O6 | C4 | C3 | O4 | 38.9° | 64.0° |
| O6 | C4 | C3 | H31 | 158.9° | 176.0° |
| O6 | C4 | C3 | H32 | 80.3° | 56.0° |
| O6 | C4 | C5 | O8 | 49.1° | 63.6° |
| O6 | C4 | C5 | H51 | 169.1° | 56.4° |
| O6 | C4 | C5 | H52 | 70.1° | 176.4° |
| C3 | C4 | C5 | H4 | 120.0° | 119.9° |
| C4 | C3 | O4 | H31 | 120.0° | 120.0° |
| C4 | C3 | O4 | H32 | 119.2° | 120.0° |
| C4 | C3 | H31 | H32 | 119.2° | 120.0° |
| C4 | C3 | O4 | P1 | 159.4° | 175.0° |
| C3 | C4 | C5 | O8 | 170.1° | 56.5° |
| C3 | C4 | C5 | H51 | 69.9° | 176.4° |
| C3 | C4 | C5 | H52 | 50.8° | 63.5° |
| C5 | C4 | C3 | O4 | 81.4° | 56.1° |
| C5 | C4 | C3 | H31 | 38.6° | 63.9° |
| C5 | C4 | C3 | H32 | 159.4° | 176.1° |
| C4 | C5 | O8 | H51 | 120.0° | 120.0° |
| C4 | C5 | O8 | H52 | 119.2° | 120.1° |
| C4 | C5 | H51 | H52 | 119.2° | 120.1° |
| C4 | C5 | O8 | C24 | 120.2° | 175.0° |
| H4 | C4 | C3 | O4 | 157.9° | 176.0° |
| H4 | C4 | C3 | H31 | 82.0° | 56.0° |
| H4 | C4 | C3 | H32 | 38.7° | 64.0° |
| H4 | C4 | C5 | O8 | 69.9° | 176.4° |
| H4 | C4 | C5 | H51 | 50.1° | 63.6° |
| H4 | C4 | C5 | H52 | 170.8° | 56.4° |
| O4 | C3 | H31 | H32 | 119.2° | 120.1° |
| C3 | O4 | P1 | O1 | 137.4° | 175.5° |
| C3 | O4 | P1 | O2 | 106.2° | 55.4° |
| C3 | O4 | P1 | O3 | 13.1° | 64.5° |
| H31 | C3 | O4 | P1 | 80.6° | 65.0° |
| H32 | C3 | O4 | P1 | 40.2° | 55.0° |
| O4 | P1 | O1 | O2 | 115.1° | 120.0° |
| O4 | P1 | O1 | O3 | 122.2° | 120.0° |
| O4 | P1 | O2 | O3 | 122.5° | 120.0° |
| O4 | P1 | O1 | C2 | 83.6° | 175.5° |
| O4 | P1 | O3 | HO3 | 155.6° | 60.0° |
| O1 | P1 | O2 | O3 | 127.3° | 120.0° |
| P1 | O1 | C2 | C1 | 124.8° | 175.0° |
| P1 | O1 | C2 | H21 | 4.8° | 55.0° |
| P1 | O1 | C2 | H22 | 115.5° | 65.0° |
| O1 | P1 | O3 | HO3 | 39.8° | 60.0° |
| O2 | P1 | O1 | C2 | 161.4° | 55.4° |
| O2 | P1 | O3 | HO3 | 84.5° | 180.0° |
| O3 | P1 | O1 | C2 | 38.6° | 64.5° |
| O1 | C2 | C1 | H21 | 120.0° | 120.0° |
| O1 | C2 | C1 | H22 | 119.7° | 120.0° |
| O1 | C2 | H21 | H22 | 119.7° | 119.9° |
| O1 | C2 | C1 | N1 | 107.2° | 175.1° |
| O1 | C2 | C1 | H11 | 12.8° | 55.1° |
| O1 | C2 | C1 | H12 | 134.5° | 64.9° |
| C1 | C2 | H21 | H22 | 119.7° | 120.0° |
| C2 | C1 | N1 | H11 | 120.0° | 120.0° |
| C2 | C1 | N1 | H12 | 118.3° | 120.1° |
| C2 | C1 | H11 | H12 | 118.4° | 120.0° |
| C2 | C1 | N1 | C1C | 37.2° | 65.2° |
| C2 | C1 | N1 | C1B | 84.7° | 174.8° |
| C2 | C1 | N1 | C1A | 156.7° | 54.8° |
| H21 | C2 | C1 | N1 | 132.8° | 64.9° |
| H21 | C2 | C1 | H11 | 107.2° | 175.1° |
| H21 | C2 | C1 | H12 | 14.5° | 55.1° |
| H22 | C2 | C1 | N1 | 12.5° | 55.1° |
| H22 | C2 | C1 | H11 | 132.4° | 64.9° |
| H22 | C2 | C1 | H12 | 105.9° | 175.2° |
| N1 | C1 | H11 | H12 | 118.4° | 120.0° |
| C1 | N1 | C1C | C1B | 122.5° | 120.0° |
| C1 | N1 | C1C | C1A | 119.8° | 120.0° |
| C1 | N1 | C1B | C1A | 118.2° | 120.0° |
| C1 | N1 | C1C | H1C1 | 130.1° | 60.0° |
| C1 | N1 | C1C | H1C2 | 10.2° | 180.0° |
| C1 | N1 | C1C | H1C3 | 109.9° | 60.0° |
| C1 | N1 | C1B | H1B1 | 37.3° | 60.0° |
| C1 | N1 | C1B | H1B2 | 157.3° | 180.0° |
| C1 | N1 | C1B | H1B3 | 82.7° | 60.0° |
| C1 | N1 | C1A | H1A1 | 57.7° | 66.0° |
| C1 | N1 | C1A | H1A2 | 62.3° | 174.0° |
| C1 | N1 | C1A | H1A3 | 177.6° | 54.1° |
| H11 | C1 | N1 | C1C | 157.2° | 54.8° |
| H11 | C1 | N1 | C1B | 35.3° | 65.2° |
| H11 | C1 | N1 | C1A | 83.3° | 174.8° |
| H12 | C1 | N1 | C1C | 81.1° | 174.8° |
| H12 | C1 | N1 | C1B | 157.0° | 54.8° |
| H12 | C1 | N1 | C1A | 38.4° | 65.2° |
| C1C | N1 | C1B | C1A | 116.9° | 120.0° |
| N1 | C1C | H1C1 | H1C2 | 120.0° | 120.0° |
| N1 | C1C | H1C1 | H1C3 | 120.0° | 120.0° |
| N1 | C1C | H1C2 | H1C3 | 120.0° | 120.0° |
| C1C | N1 | C1B | H1B1 | 162.2° | 180.0° |
| C1C | N1 | C1B | H1B2 | 77.8° | 60.0° |
| C1C | N1 | C1B | H1B3 | 42.2° | 60.0° |
| C1C | N1 | C1A | H1A1 | 179.1° | 53.9° |
| C1C | N1 | C1A | H1A2 | 60.9° | 66.0° |
| C1C | N1 | C1A | H1A3 | 59.1° | 174.0° |
| C1B | N1 | C1C | H1C1 | 107.4° | 60.0° |
| C1B | N1 | C1C | H1C2 | 132.7° | 60.0° |
| C1B | N1 | C1C | H1C3 | 12.6° | 180.0° |
| N1 | C1B | H1B1 | H1B2 | 120.0° | 120.0° |
| N1 | C1B | H1B1 | H1B3 | 120.0° | 120.0° |
| N1 | C1B | H1B2 | H1B3 | 120.0° | 120.0° |
| C1B | N1 | C1A | H1A1 | 61.5° | 174.0° |
| C1B | N1 | C1A | H1A2 | 178.5° | 54.0° |
| C1B | N1 | C1A | H1A3 | 58.5° | 66.0° |
| C1A | N1 | C1C | H1C1 | 10.3° | 180.0° |
| C1A | N1 | C1C | H1C2 | 109.7° | 60.0° |
| C1A | N1 | C1C | H1C3 | 130.3° | 59.9° |
| C1A | N1 | C1B | H1B1 | 80.9° | 60.0° |
| C1A | N1 | C1B | H1B2 | 39.1° | 60.0° |
| C1A | N1 | C1B | H1B3 | 159.1° | 180.0° |
| N1 | C1A | H1A1 | H1A2 | 120.0° | 120.0° |
| N1 | C1A | H1A1 | H1A3 | 120.0° | 120.0° |
| N1 | C1A | H1A2 | H1A3 | 120.0° | 119.9° |
| H1C1 | C1C | H1C2 | H1C3 | 120.0° | 120.1° |
| H1B1 | C1B | H1B2 | H1B3 | 120.0° | 120.0° |
| H1A1 | C1A | H1A2 | H1A3 | 120.0° | 120.1° |
| O8 | C5 | H51 | H52 | 119.3° | 120.0° |
| C5 | O8 | C24 | O9 | 25.7° | 65.6° |
| C5 | O8 | C24 | C25 | 148.6° | 174.4° |
| C5 | O8 | C24 | H24 | 91.7° | 54.4° |
| H51 | C5 | O8 | C24 | 119.7° | 65.0° |
| H52 | C5 | O8 | C24 | 1.0° | 55.0° |
| O8 | C24 | O9 | C25 | 122.9° | 120.0° |
| O8 | C24 | O9 | H24 | 117.2° | 120.0° |
| O8 | C24 | C25 | H24 | 117.5° | 120.0° |
| O8 | C24 | O9 | HO9 | 146.5° | 60.0° |
| O8 | C24 | C25 | C26 | 154.7° | 176.5° |
| O8 | C24 | C25 | H251 | 34.7° | 56.4° |
| O8 | C24 | C25 | H252 | 85.8° | 63.5° |
| O9 | C24 | C25 | H24 | 117.7° | 120.1° |
| O9 | C24 | C25 | C26 | 80.4° | 63.6° |
| O9 | C24 | C25 | H251 | 159.6° | 176.4° |
| O9 | C24 | C25 | H252 | 39.1° | 56.4° |
| C25 | C24 | O9 | HO9 | 90.6° | 59.9° |
| C24 | C25 | C26 | H251 | 120.0° | 120.1° |
| C24 | C25 | C26 | H252 | 119.5° | 120.0° |
| C24 | C25 | H251 | H252 | 119.5° | 120.0° |
| C24 | C25 | C26 | C27 | 162.1° | 175.2° |
| C24 | C25 | C26 | H261 | 77.9° | 55.2° |
| C24 | C25 | C26 | H262 | 43.7° | 64.8° |
| H24 | C24 | O9 | HO9 | 29.2° | 180.0° |
| H24 | C24 | C25 | C26 | 37.2° | 56.5° |
| H24 | C24 | C25 | H251 | 82.8° | 63.5° |
| H24 | C24 | C25 | H252 | 156.7° | 176.5° |
| C26 | C25 | H251 | H252 | 119.5° | 119.9° |
| C25 | C26 | C27 | H261 | 120.0° | 120.0° |
| C25 | C26 | C27 | H262 | 118.5° | 120.0° |
| C25 | C26 | H261 | H262 | 118.6° | 119.9° |
| C25 | C26 | C27 | C28 | 146.6° | 175.1° |
| C25 | C26 | C27 | H271 | 26.6° | 64.9° |
| C25 | C26 | C27 | H272 | 93.4° | 55.1° |
| H251 | C25 | C26 | C27 | 42.2° | 64.7° |
| H251 | C25 | C26 | H261 | 162.1° | 175.3° |
| H251 | C25 | C26 | H262 | 76.3° | 55.3° |
| H252 | C25 | C26 | C27 | 78.4° | 55.2° |
| H252 | C25 | C26 | H261 | 41.6° | 64.8° |
| H252 | C25 | C26 | H262 | 163.2° | 175.2° |
| C27 | C26 | H261 | H262 | 118.6° | 120.0° |
| C26 | C27 | C28 | H271 | 120.0° | 120.0° |
| C26 | C27 | C28 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H272 | 120.0° | 120.0° |
| C26 | C27 | C28 | C29 | 163.7° | 180.0° |
| C26 | C27 | C28 | H281 | 76.3° | 60.0° |
| C26 | C27 | C28 | H282 | 45.0° | 60.0° |
| H261 | C26 | C27 | C28 | 93.5° | 55.1° |
| H261 | C26 | C27 | H271 | 146.5° | 175.1° |
| H261 | C26 | C27 | H272 | 26.6° | 64.9° |
| H262 | C26 | C27 | C28 | 28.1° | 64.9° |
| H262 | C26 | C27 | H271 | 91.9° | 55.1° |
| H262 | C26 | C27 | H272 | 148.1° | 175.0° |
| C28 | C27 | H271 | H272 | 120.0° | 120.1° |
| C27 | C28 | C29 | H281 | 120.0° | 119.9° |
| C27 | C28 | C29 | H282 | 118.7° | 120.0° |
| C27 | C28 | H281 | H282 | 118.8° | 120.0° |
| C27 | C28 | C29 | C30 | 97.7° | 180.0° |
| C27 | C28 | C29 | H291 | 22.2° | 60.1° |
| C27 | C28 | C29 | H292 | 143.5° | 60.0° |
| H271 | C27 | C28 | C29 | 43.7° | 60.0° |
| H271 | C27 | C28 | H281 | 163.7° | 180.0° |
| H271 | C27 | C28 | H282 | 75.0° | 60.0° |
| H272 | C27 | C28 | C29 | 76.3° | 60.0° |
| H272 | C27 | C28 | H281 | 43.7° | 60.0° |
| H272 | C27 | C28 | H282 | 165.0° | 180.0° |
| C29 | C28 | H281 | H282 | 118.7° | 120.1° |
| C28 | C29 | C30 | H291 | 120.0° | 120.0° |
| C28 | C29 | C30 | H292 | 118.7° | 120.0° |
| C28 | C29 | H291 | H292 | 118.8° | 120.1° |
| C28 | C29 | C30 | C31 | 158.5° | 180.0° |
| C28 | C29 | C30 | H301 | 38.5° | 60.0° |
| C28 | C29 | C30 | H302 | 82.7° | 60.0° |
| H281 | C28 | C29 | C30 | 142.3° | 60.0° |
| H281 | C28 | C29 | H291 | 97.7° | 180.0° |
| H281 | C28 | C29 | H292 | 23.5° | 59.9° |
| H282 | C28 | C29 | C30 | 21.0° | 60.0° |
| H282 | C28 | C29 | H291 | 141.0° | 60.0° |
| H282 | C28 | C29 | H292 | 97.7° | 180.0° |
| C30 | C29 | H291 | H292 | 118.8° | 119.9° |
| C29 | C30 | C31 | H301 | 120.0° | 120.1° |
| C29 | C30 | C31 | H302 | 118.8° | 120.0° |
| C29 | C30 | H301 | H302 | 118.8° | 120.0° |
| C29 | C30 | C31 | C32 | 85.9° | NaN° |
| C29 | C30 | C31 | H311 | 34.2° | 60.0° |
| C29 | C30 | C31 | H312 | 155.4° | 60.0° |
| H291 | C29 | C30 | C31 | 81.5° | 60.0° |
| H291 | C29 | C30 | H301 | 158.5° | 180.0° |
| H291 | C29 | C30 | H302 | 37.3° | 60.0° |
| H292 | C29 | C30 | C31 | 39.8° | 60.0° |
| H292 | C29 | C30 | H301 | 80.2° | 60.1° |
| H292 | C29 | C30 | H302 | 158.6° | 180.0° |
| C31 | C30 | H301 | H302 | 118.8° | 120.0° |
| C30 | C31 | C32 | H311 | 120.0° | 120.0° |
| C30 | C31 | C32 | H312 | 118.7° | 120.0° |
| C30 | C31 | H311 | H312 | 118.8° | 120.0° |
| C30 | C31 | C32 | C33 | 114.2° | 180.0° |
| C30 | C31 | C32 | H321 | 125.8° | 60.0° |
| C30 | C31 | C32 | H322 | 5.1° | 60.0° |
| H301 | C30 | C31 | C32 | 154.1° | 59.9° |
| H301 | C30 | C31 | H311 | 85.9° | 179.9° |
| H301 | C30 | C31 | H312 | 35.4° | 60.1° |
| H302 | C30 | C31 | C32 | 32.9° | 60.0° |
| H302 | C30 | C31 | H311 | 152.9° | 60.0° |
| H302 | C30 | C31 | H312 | 85.8° | 180.0° |
| C32 | C31 | H311 | H312 | 118.8° | 120.0° |
| C31 | C32 | C33 | H321 | 120.0° | 120.1° |
| C31 | C32 | C33 | H322 | 119.3° | 120.0° |
| C31 | C32 | H321 | H322 | 119.3° | 120.0° |
| C31 | C32 | C33 | C34 | 127.3° | 180.0° |
| C31 | C32 | C33 | H331 | 7.4° | 60.0° |
| C31 | C32 | C33 | H332 | 113.7° | 60.0° |
| H311 | C31 | C32 | C33 | 5.8° | 60.0° |
| H311 | C31 | C32 | H321 | 114.2° | 180.0° |
| H311 | C31 | C32 | H322 | 125.1° | 60.0° |
| H312 | C31 | C32 | C33 | 127.1° | 60.0° |
| H312 | C31 | C32 | H321 | 7.1° | 60.0° |
| H312 | C31 | C32 | H322 | 113.6° | 180.0° |
| C33 | C32 | H321 | H322 | 119.3° | 120.0° |
| C32 | C33 | C34 | H331 | 120.0° | 119.9° |
| C32 | C33 | C34 | H332 | 119.0° | 120.0° |
| C32 | C33 | H331 | H332 | 119.0° | 120.0° |
| C32 | C33 | C34 | C35 | 148.0° | 180.0° |
| C32 | C33 | C34 | H341 | 28.0° | 60.0° |
| C32 | C33 | C34 | H342 | 92.9° | 60.0° |
| H321 | C32 | C33 | C34 | 112.6° | 60.0° |
| H321 | C32 | C33 | H331 | 127.4° | 180.0° |
| H321 | C32 | C33 | H332 | 6.3° | 60.1° |
| H322 | C32 | C33 | C34 | 8.1° | 60.0° |
| H322 | C32 | C33 | H331 | 111.9° | 60.0° |
| H322 | C32 | C33 | H332 | 127.0° | 180.0° |
| C34 | C33 | H331 | H332 | 119.0° | 120.1° |
| C33 | C34 | C35 | H341 | 120.0° | 120.0° |
| C33 | C34 | C35 | H342 | 119.1° | 120.0° |
| C33 | C34 | H341 | H342 | 119.1° | 120.0° |
| C33 | C34 | C35 | C36 | 102.9° | 179.9° |
| C33 | C34 | C35 | H351 | 137.1° | 60.0° |
| C33 | C34 | C35 | H352 | 16.2° | 60.0° |
| H331 | C33 | C34 | C35 | 92.0° | 60.1° |
| H331 | C33 | C34 | H341 | 148.0° | 180.0° |
| H331 | C33 | C34 | H342 | 27.1° | 59.9° |
| H332 | C33 | C34 | C35 | 29.0° | 60.0° |
| H332 | C33 | C34 | H341 | 90.9° | 60.0° |
| H332 | C33 | C34 | H342 | 148.1° | 180.0° |
| C35 | C34 | H341 | H342 | 119.1° | 120.0° |
| C34 | C35 | C36 | H351 | 120.0° | 120.0° |
| C34 | C35 | C36 | H352 | 119.1° | 120.0° |
| C34 | C35 | H351 | H352 | 119.2° | 120.0° |
| C34 | C35 | C36 | C37 | 121.0° | 180.0° |
| C34 | C35 | C36 | H361 | 1.0° | 60.0° |
| C34 | C35 | C36 | H362 | 119.9° | 60.0° |
| H341 | C34 | C35 | C36 | 17.0° | 60.0° |
| H341 | C34 | C35 | H351 | 103.0° | 180.0° |
| H341 | C34 | C35 | H352 | 136.2° | 60.0° |
| H342 | C34 | C35 | C36 | 138.0° | 60.0° |
| H342 | C34 | C35 | H351 | 18.0° | 60.0° |
| H342 | C34 | C35 | H352 | 102.9° | 180.0° |
| C36 | C35 | H351 | H352 | 119.2° | 120.0° |
| C35 | C36 | C37 | H361 | 120.0° | 120.1° |
| C35 | C36 | C37 | H362 | 119.1° | 120.0° |
| C35 | C36 | H361 | H362 | 119.1° | 120.0° |
| C35 | C36 | C37 | C38 | 102.8° | 180.0° |
| C35 | C36 | C37 | H371 | 17.2° | 60.0° |
| C35 | C36 | C37 | H372 | 138.0° | 60.0° |
| H351 | C35 | C36 | C37 | 119.1° | 60.0° |
| H351 | C35 | C36 | H361 | 121.0° | 180.0° |
| H351 | C35 | C36 | H362 | 0.0° | 60.0° |
| H352 | C35 | C36 | C37 | 1.8° | 60.0° |
| H352 | C35 | C36 | H361 | 118.2° | 60.0° |
| H352 | C35 | C36 | H362 | 120.9° | 180.0° |
| C37 | C36 | H361 | H362 | 119.2° | 120.0° |
| C36 | C37 | C38 | H371 | 120.0° | 120.0° |
| C36 | C37 | C38 | H372 | 119.3° | 120.0° |
| C36 | C37 | H371 | H372 | 119.3° | 120.0° |
| C36 | C37 | C38 | C39 | 171.4° | 180.0° |
| C36 | C37 | C38 | H381 | 51.4° | 60.0° |
| C36 | C37 | C38 | H382 | 69.6° | 60.0° |
| H361 | C36 | C37 | C38 | 137.3° | 59.9° |
| H361 | C36 | C37 | H371 | 102.7° | 179.9° |
| H361 | C36 | C37 | H372 | 18.0° | 60.0° |
| H362 | C36 | C37 | C38 | 16.3° | 60.0° |
| H362 | C36 | C37 | H371 | 136.3° | 60.0° |
| H362 | C36 | C37 | H372 | 102.9° | 180.0° |
| C38 | C37 | H371 | H372 | 119.2° | 120.0° |
| C37 | C38 | C39 | H381 | 120.0° | 120.1° |
| C37 | C38 | C39 | H382 | 119.1° | 120.0° |
| C37 | C38 | H381 | H382 | 119.1° | 120.0° |
| C37 | C38 | C39 | H391 | 106.2° | 60.0° |
| C37 | C38 | C39 | H392 | 133.8° | 180.0° |
| C37 | C38 | C39 | H393 | 13.8° | 60.0° |
| H371 | C37 | C38 | C39 | 68.6° | 60.0° |
| H371 | C37 | C38 | H381 | 171.4° | 180.0° |
| H371 | C37 | C38 | H382 | 50.5° | 60.0° |
| H372 | C37 | C38 | C39 | 52.1° | 60.0° |
| H372 | C37 | C38 | H381 | 67.8° | 60.1° |
| H372 | C37 | C38 | H382 | 171.2° | 180.0° |
| C39 | C38 | H381 | H382 | 119.0° | 120.0° |
| C38 | C39 | H391 | H392 | 120.0° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C38 | C39 | H392 | H393 | 120.0° | 120.0° |
| H381 | C38 | C39 | H391 | 13.8° | 60.1° |
| H381 | C38 | C39 | H392 | 106.1° | 59.9° |
| H381 | C38 | C39 | H393 | 133.8° | 180.0° |
| H382 | C38 | C39 | H391 | 134.8° | 180.0° |
| H382 | C38 | C39 | H392 | 14.8° | 60.0° |
| H382 | C38 | C39 | H393 | 105.3° | 60.0° |
| H391 | C39 | H392 | H393 | 120.0° | 120.0° |
