Z1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | C17 | sing | 1.46Å | 1.48Å | |
| N1 | C19 | sing | 1.35Å | 1.34Å | |
| O1 | C16 | sing | 1.43Å | 1.25Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O2 | C18 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | doub | 1.31Å | 1.39Å | |
| C15 | C16 | sing | 1.51Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O3 | C19 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.37Å | |
| C31 | C32 | sing | 1.53Å | 1.49Å | |
| C32 | C33 | sing | 1.53Å | 1.62Å | |
| C33 | C34 | sing | 1.53Å | 1.35Å | |
| C34 | C35 | sing | 1.53Å | 1.40Å | |
| C35 | C36 | sing | 1.53Å | 1.48Å | |
| C36 | C37 | sing | 1.53Å | 1.40Å | |
| C37 | C38 | sing | 1.53Å | 1.44Å | |
| C38 | C39 | sing | 1.53Å | 1.44Å | |
| C39 | C40 | sing | 1.53Å | 1.48Å | |
| C40 | C41 | sing | 1.53Å | 1.04Å | |
| C41 | C42 | sing | 1.53Å | 1.30Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H11N | sing | 0.97Å | 1.00Å | |
| O1 | H1O | sing | 0.97Å | 0.95Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H423 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| O2 | H2O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 111.1° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | H21 | 109.1° | 109.4° |
| C1 | C2 | H22 | 109.0° | 109.5° |
| C17 | N1 | C19 | 122.0° | 120.0° |
| N1 | C17 | C16 | 107.4° | 109.5° |
| N1 | C17 | C18 | 113.3° | 109.5° |
| C17 | N1 | H11N | 119.0° | 120.0° |
| N1 | C17 | H171 | 111.0° | 109.5° |
| N1 | C19 | O3 | 124.7° | 120.0° |
| N1 | C19 | C20 | 114.4° | 120.0° |
| C19 | N1 | H11N | 119.0° | 119.9° |
| O1 | C16 | C15 | 109.8° | 109.5° |
| O1 | C16 | C17 | 114.0° | 109.5° |
| C16 | O1 | H1O | 109.5° | 114.0° |
| O1 | C16 | H161 | 105.1° | 109.5° |
| C2 | C3 | C4 | 111.1° | 109.5° |
| C3 | C2 | H21 | 109.1° | 109.5° |
| C3 | C2 | H22 | 109.1° | 109.5° |
| C2 | C3 | H31 | 109.0° | 109.5° |
| C2 | C3 | H32 | 109.1° | 109.5° |
| O2 | C18 | C17 | 125.6° | 109.5° |
| O2 | C18 | H181 | 105.3° | 109.5° |
| O2 | C18 | H182 | 105.3° | 109.5° |
| C18 | O2 | H2O | 109.5° | 114.0° |
| C3 | C4 | C5 | 111.3° | 109.5° |
| C4 | C3 | H31 | 109.0° | 109.5° |
| C4 | C3 | H32 | 109.1° | 109.4° |
| C3 | C4 | H41 | 109.0° | 109.5° |
| C3 | C4 | H42 | 109.0° | 109.4° |
| C4 | C5 | C6 | 111.3° | 109.4° |
| C5 | C4 | H41 | 109.1° | 109.5° |
| C5 | C4 | H42 | 109.0° | 109.5° |
| C4 | C5 | H51 | 109.0° | 109.5° |
| C4 | C5 | H52 | 109.0° | 109.5° |
| C5 | C6 | C7 | 111.1° | 109.5° |
| C6 | C5 | H51 | 109.0° | 109.4° |
| C6 | C5 | H52 | 109.0° | 109.5° |
| C5 | C6 | H61 | 109.1° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| C6 | C7 | C8 | 111.2° | 109.5° |
| C7 | C6 | H61 | 109.0° | 109.5° |
| C7 | C6 | H62 | 109.0° | 109.5° |
| C6 | C7 | H71 | 109.0° | 109.5° |
| C6 | C7 | H72 | 109.1° | 109.5° |
| C7 | C8 | C9 | 110.9° | 109.5° |
| C8 | C7 | H71 | 109.1° | 109.5° |
| C8 | C7 | H72 | 109.0° | 109.5° |
| C7 | C8 | H81 | 109.1° | 109.5° |
| C7 | C8 | H82 | 109.1° | 109.5° |
| C8 | C9 | C10 | 112.0° | 109.5° |
| C9 | C8 | H81 | 109.1° | 109.4° |
| C9 | C8 | H82 | 109.1° | 109.5° |
| C8 | C9 | H91 | 108.9° | 109.5° |
| C8 | C9 | H92 | 108.8° | 109.5° |
| C9 | C10 | C11 | 111.1° | 109.5° |
| C10 | C9 | H91 | 108.9° | 109.4° |
| C10 | C9 | H92 | 108.8° | 109.5° |
| C9 | C10 | H101 | 109.0° | 109.5° |
| C9 | C10 | H102 | 109.1° | 109.5° |
| C10 | C11 | C12 | 111.7° | 109.5° |
| C11 | C10 | H101 | 109.1° | 109.4° |
| C11 | C10 | H102 | 109.1° | 109.5° |
| C10 | C11 | H111 | 108.9° | 109.5° |
| C10 | C11 | H112 | 108.9° | 109.5° |
| C11 | C12 | C13 | 110.7° | 109.5° |
| C12 | C11 | H111 | 108.9° | 109.5° |
| C12 | C11 | H112 | 108.9° | 109.4° |
| C11 | C12 | H121 | 109.2° | 109.5° |
| C11 | C12 | H122 | 109.1° | 109.4° |
| C12 | C13 | C14 | 111.4° | 109.5° |
| C13 | C12 | H121 | 109.2° | 109.4° |
| C13 | C12 | H122 | 109.2° | 109.5° |
| C12 | C13 | H131 | 109.0° | 109.5° |
| C12 | C13 | H132 | 109.0° | 109.5° |
| C13 | C14 | C15 | 110.4° | 120.0° |
| C14 | C13 | H131 | 109.0° | 109.4° |
| C14 | C13 | H132 | 109.0° | 109.5° |
| C13 | C14 | H141 | 124.8° | 119.9° |
| C14 | C15 | C16 | 122.5° | 120.0° |
| C15 | C14 | H141 | 124.8° | 120.1° |
| C14 | C15 | H151 | 118.8° | 120.0° |
| C15 | C16 | C17 | 120.2° | 109.4° |
| C16 | C15 | H151 | 118.8° | 120.0° |
| C15 | C16 | H161 | 103.4° | 109.5° |
| C16 | C17 | C18 | 104.3° | 109.5° |
| C17 | C16 | H161 | 102.3° | 109.5° |
| C16 | C17 | H171 | 110.2° | 109.5° |
| C18 | C17 | H171 | 110.3° | 109.5° |
| C17 | C18 | H181 | 105.3° | 109.5° |
| C17 | C18 | H182 | 105.3° | 109.5° |
| O3 | C19 | C20 | 120.9° | 120.0° |
| C19 | C20 | C21 | 112.4° | 109.4° |
| C19 | C20 | H201 | 108.7° | 109.5° |
| C19 | C20 | H202 | 108.8° | 109.5° |
| C20 | C21 | C22 | 114.3° | 109.5° |
| C21 | C20 | H201 | 108.8° | 109.5° |
| C21 | C20 | H202 | 108.7° | 109.5° |
| C20 | C21 | H211 | 108.2° | 109.5° |
| C20 | C21 | H212 | 108.2° | 109.5° |
| C21 | C22 | C23 | 111.8° | 109.5° |
| C22 | C21 | H211 | 108.3° | 109.4° |
| C22 | C21 | H212 | 108.3° | 109.4° |
| C21 | C22 | H221 | 108.9° | 109.5° |
| C21 | C22 | H222 | 108.9° | 109.5° |
| C22 | C23 | C24 | 113.7° | 109.5° |
| C23 | C22 | H221 | 108.9° | 109.4° |
| C23 | C22 | H222 | 108.9° | 109.5° |
| C22 | C23 | H231 | 108.4° | 109.4° |
| C22 | C23 | H232 | 108.4° | 109.5° |
| C23 | C24 | C25 | 112.2° | 109.5° |
| C24 | C23 | H231 | 108.4° | 109.5° |
| C24 | C23 | H232 | 108.4° | 109.5° |
| C23 | C24 | H241 | 108.8° | 109.5° |
| C23 | C24 | H242 | 108.8° | 109.5° |
| C24 | C25 | C26 | 112.6° | 109.5° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C25 | C24 | H242 | 108.8° | 109.5° |
| C24 | C25 | H251 | 108.7° | 109.5° |
| C24 | C25 | H252 | 108.7° | 109.5° |
| C25 | C26 | C27 | 112.4° | 109.5° |
| C26 | C25 | H251 | 108.7° | 109.4° |
| C26 | C25 | H252 | 108.7° | 109.5° |
| C25 | C26 | H261 | 108.7° | 109.5° |
| C25 | C26 | H262 | 108.7° | 109.5° |
| C26 | C27 | C28 | 112.8° | 109.5° |
| C27 | C26 | H261 | 108.7° | 109.5° |
| C27 | C26 | H262 | 108.7° | 109.5° |
| C26 | C27 | H271 | 108.6° | 109.4° |
| C26 | C27 | H272 | 108.6° | 109.4° |
| C27 | C28 | C29 | 112.5° | 109.5° |
| C28 | C27 | H271 | 108.6° | 109.5° |
| C28 | C27 | H272 | 108.6° | 109.5° |
| C27 | C28 | H281 | 108.7° | 109.4° |
| C27 | C28 | H282 | 108.7° | 109.5° |
| C28 | C29 | C30 | 112.7° | 109.5° |
| C29 | C28 | H281 | 108.7° | 109.4° |
| C29 | C28 | H282 | 108.7° | 109.5° |
| C28 | C29 | H291 | 108.7° | 109.5° |
| C28 | C29 | H292 | 108.6° | 109.5° |
| C29 | C30 | C31 | 104.9° | 109.5° |
| C30 | C29 | H291 | 108.7° | 109.5° |
| C30 | C29 | H292 | 108.7° | 109.4° |
| C29 | C30 | H301 | 110.6° | 109.5° |
| C29 | C30 | H302 | 110.6° | 109.5° |
| C30 | C31 | C32 | 138.0° | 109.5° |
| C31 | C30 | H301 | 110.6° | 109.4° |
| C30 | C31 | H311 | 102.0° | 109.4° |
| C31 | C30 | H302 | 110.6° | 109.5° |
| C30 | C31 | H312 | 102.0° | 109.5° |
| C31 | C32 | C33 | 121.0° | 109.5° |
| C32 | C31 | H311 | 101.9° | 109.5° |
| C31 | C32 | H321 | 106.5° | 109.5° |
| C31 | C32 | H322 | 106.5° | 109.5° |
| C32 | C31 | H312 | 101.9° | 109.5° |
| C32 | C33 | C34 | 115.3° | 109.5° |
| C33 | C32 | H321 | 106.5° | 109.4° |
| C33 | C32 | H322 | 106.5° | 109.5° |
| C32 | C33 | H331 | 108.0° | 109.5° |
| C32 | C33 | H332 | 108.0° | 109.5° |
| C33 | C34 | C35 | 117.9° | 109.5° |
| C34 | C33 | H331 | 108.0° | 109.4° |
| C33 | C34 | H341 | 107.3° | 109.5° |
| C34 | C33 | H332 | 108.0° | 109.4° |
| C33 | C34 | H342 | 107.3° | 109.4° |
| C34 | C35 | C36 | 119.5° | 109.4° |
| C35 | C34 | H341 | 107.3° | 109.5° |
| C34 | C35 | H351 | 106.9° | 109.4° |
| C34 | C35 | H352 | 106.9° | 109.5° |
| C35 | C34 | H342 | 107.4° | 109.5° |
| C35 | C36 | C37 | 107.7° | 109.4° |
| C36 | C35 | H351 | 106.9° | 109.5° |
| C36 | C35 | H352 | 106.9° | 109.5° |
| C35 | C36 | H361 | 109.9° | 109.5° |
| C35 | C36 | H362 | 109.9° | 109.5° |
| C36 | C37 | C38 | 122.7° | 109.5° |
| C37 | C36 | H361 | 109.9° | 109.5° |
| C37 | C36 | H362 | 109.9° | 109.4° |
| C36 | C37 | H371 | 106.1° | 109.6° |
| C36 | C37 | H372 | 106.1° | 109.5° |
| C37 | C38 | C39 | 130.6° | 109.5° |
| C38 | C37 | H371 | 106.1° | 109.4° |
| C37 | C38 | H381 | 103.9° | 109.5° |
| C38 | C37 | H372 | 106.1° | 109.4° |
| C37 | C38 | H382 | 104.0° | 109.5° |
| C38 | C39 | C40 | 108.2° | 109.4° |
| C39 | C38 | H381 | 104.0° | 109.5° |
| C38 | C39 | H391 | 109.8° | 109.4° |
| C38 | C39 | H392 | 109.8° | 109.5° |
| C39 | C38 | H382 | 103.9° | 109.5° |
| C39 | C40 | C41 | 124.7° | 109.5° |
| C40 | C39 | H391 | 109.8° | 109.5° |
| C40 | C39 | H392 | 109.8° | 109.5° |
| C39 | C40 | H401 | 105.5° | 109.5° |
| C39 | C40 | H402 | 105.5° | 109.5° |
| C40 | C41 | C42 | 146.1° | 109.5° |
| C41 | C40 | H401 | 105.6° | 109.4° |
| C41 | C40 | H402 | 105.6° | 109.4° |
| C40 | C41 | H411 | 99.7° | 109.5° |
| C40 | C41 | H412 | 99.7° | 109.4° |
| C41 | C42 | H421 | 109.5° | 109.5° |
| C41 | C42 | H422 | 109.4° | 109.5° |
| C41 | C42 | H423 | 109.5° | 109.5° |
| C42 | C41 | H411 | 99.7° | 109.5° |
| C42 | C41 | H412 | 99.7° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H41 | C4 | H42 | 109.4° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.4° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.4° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.4° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.5° |
| H421 | C42 | H423 | 109.5° | 109.5° |
| H422 | C42 | H423 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.4° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H21 | 120.2° | 120.0° |
| C1 | C2 | C3 | H22 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 164.3° | 180.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.1° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.1° |
| C1 | C2 | H21 | H22 | 119.2° | 119.9° |
| C1 | C2 | C3 | H31 | 44.1° | 60.1° |
| C1 | C2 | C3 | H32 | 75.4° | 60.0° |
| C17 | N1 | C19 | H11N | 180.0° | 180.0° |
| N1 | C17 | C16 | O1 | 154.6° | 179.1° |
| N1 | C17 | C18 | O2 | 80.3° | 64.4° |
| N1 | C17 | C16 | C15 | 21.2° | 59.1° |
| N1 | C17 | C16 | C18 | 120.5° | 120.0° |
| N1 | C17 | C16 | H171 | 121.1° | 120.0° |
| N1 | C17 | C18 | H171 | 125.2° | 120.0° |
| C17 | N1 | C19 | O3 | 4.6° | 0.1° |
| C17 | N1 | C19 | C20 | 176.9° | 180.0° |
| N1 | C17 | C16 | H161 | 92.5° | 60.9° |
| N1 | C17 | C18 | H181 | 157.5° | 55.6° |
| N1 | C17 | C18 | H182 | 41.8° | 175.6° |
| C19 | N1 | C17 | C16 | 137.0° | 155.0° |
| C19 | N1 | C17 | C18 | 108.4° | 85.0° |
| N1 | C19 | O3 | C20 | 178.4° | 179.9° |
| N1 | C19 | C20 | C21 | 129.1° | 180.0° |
| C19 | N1 | C17 | H171 | 16.4° | 35.0° |
| N1 | C19 | C20 | H201 | 8.6° | 60.0° |
| N1 | C19 | C20 | H202 | 110.5° | 60.0° |
| O1 | C16 | C15 | C14 | 45.6° | 5.0° |
| O1 | C16 | C15 | C17 | 135.2° | 120.0° |
| O1 | C16 | C15 | H161 | 111.8° | 120.1° |
| O1 | C16 | C17 | H161 | 112.9° | 120.0° |
| O1 | C16 | C17 | C18 | 84.8° | 60.9° |
| O1 | C16 | C15 | H151 | 134.4° | 175.0° |
| O1 | C16 | C17 | H171 | 33.6° | 59.0° |
| C2 | C3 | C4 | H31 | 120.2° | 120.0° |
| C2 | C3 | C4 | H32 | 120.3° | 120.0° |
| C2 | C3 | C4 | C5 | 125.3° | 180.0° |
| C3 | C2 | C1 | H11 | 180.0° | 60.0° |
| C3 | C2 | C1 | H12 | 60.0° | 180.0° |
| C3 | C2 | C1 | H13 | 60.0° | 60.0° |
| C3 | C2 | H21 | H22 | 119.3° | 120.0° |
| C2 | C3 | H31 | H32 | 119.2° | 120.0° |
| C2 | C3 | C4 | H41 | 5.0° | 59.9° |
| C2 | C3 | C4 | H42 | 114.4° | 60.0° |
| O2 | C18 | C17 | C16 | 163.2° | 55.6° |
| O2 | C18 | C17 | H181 | 122.1° | 120.0° |
| O2 | C18 | C17 | H182 | 122.2° | 120.0° |
| O2 | C18 | C17 | H171 | 44.9° | 175.6° |
| O2 | C18 | H181 | H182 | 112.8° | 120.0° |
| C3 | C4 | C5 | H41 | 120.3° | 120.0° |
| C3 | C4 | C5 | H42 | 120.3° | 119.9° |
| C3 | C4 | C5 | C6 | 123.3° | 180.0° |
| C4 | C3 | C2 | H21 | 75.4° | 60.0° |
| C4 | C3 | C2 | H22 | 44.1° | 60.0° |
| C4 | C3 | H31 | H32 | 119.2° | 120.0° |
| C3 | C4 | H41 | H42 | 119.2° | 120.0° |
| C3 | C4 | C5 | H51 | 3.0° | 60.0° |
| C3 | C4 | C5 | H52 | 116.5° | 60.0° |
| C4 | C5 | C6 | H51 | 120.3° | 120.0° |
| C4 | C5 | C6 | H52 | 120.3° | 120.0° |
| C4 | C5 | C6 | C7 | 121.8° | 180.0° |
| C5 | C4 | C3 | H31 | 114.5° | 60.0° |
| C5 | C4 | C3 | H32 | 5.0° | 60.0° |
| C5 | C4 | H41 | H42 | 119.2° | 120.0° |
| C4 | C5 | H51 | H52 | 119.2° | 120.1° |
| C4 | C5 | C6 | H61 | 118.0° | 60.0° |
| C4 | C5 | C6 | H62 | 1.6° | 60.0° |
| C5 | C6 | C7 | H61 | 120.3° | 120.0° |
| C5 | C6 | C7 | H62 | 120.2° | 120.1° |
| C5 | C6 | C7 | C8 | 152.9° | 180.0° |
| C6 | C5 | C4 | H41 | 116.5° | 60.0° |
| C6 | C5 | C4 | H42 | 3.0° | 60.0° |
| C6 | C5 | H51 | H52 | 119.1° | 120.0° |
| C5 | C6 | H61 | H62 | 119.2° | 120.1° |
| C5 | C6 | C7 | H71 | 86.8° | 60.1° |
| C5 | C6 | C7 | H72 | 32.6° | 60.0° |
| C6 | C7 | C8 | H71 | 120.3° | 120.0° |
| C6 | C7 | C8 | H72 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 128.9° | 180.0° |
| C7 | C6 | C5 | H51 | 1.5° | 60.0° |
| C7 | C6 | C5 | H52 | 117.9° | 60.0° |
| C7 | C6 | H61 | H62 | 119.2° | 119.9° |
| C6 | C7 | H71 | H72 | 119.2° | 120.0° |
| C6 | C7 | C8 | H81 | 8.7° | 60.0° |
| C6 | C7 | C8 | H82 | 110.9° | 60.0° |
| C7 | C8 | C9 | H81 | 120.2° | 120.0° |
| C7 | C8 | C9 | H82 | 120.2° | 120.0° |
| C7 | C8 | C9 | C10 | 96.2° | 180.0° |
| C8 | C7 | C6 | H61 | 32.6° | 60.0° |
| C8 | C7 | C6 | H62 | 86.9° | 60.0° |
| C8 | C7 | H71 | H72 | 119.2° | 120.0° |
| C7 | C8 | H81 | H82 | 119.3° | 120.1° |
| C7 | C8 | C9 | H91 | 24.2° | 60.0° |
| C7 | C8 | C9 | H92 | 143.5° | 60.0° |
| C8 | C9 | C10 | H91 | 120.4° | 120.0° |
| C8 | C9 | C10 | H92 | 120.4° | 120.0° |
| C8 | C9 | C10 | C11 | 174.7° | 180.0° |
| C9 | C8 | C7 | H71 | 110.8° | 60.0° |
| C9 | C8 | C7 | H72 | 8.6° | 60.0° |
| C9 | C8 | H81 | H82 | 119.4° | 120.0° |
| C8 | C9 | H91 | H92 | 118.9° | 120.0° |
| C8 | C9 | C10 | H101 | 54.4° | 60.1° |
| C8 | C9 | C10 | H102 | 65.1° | 60.0° |
| C9 | C10 | C11 | H101 | 120.2° | 120.0° |
| C9 | C10 | C11 | H102 | 120.2° | 120.0° |
| C9 | C10 | C11 | C12 | 170.9° | 180.0° |
| C10 | C9 | C8 | H81 | 143.6° | 60.0° |
| C10 | C9 | C8 | H82 | 24.0° | 59.9° |
| C10 | C9 | H91 | H92 | 118.8° | 120.0° |
| C9 | C10 | H101 | H102 | 119.2° | 120.0° |
| C9 | C10 | C11 | H111 | 68.7° | 60.0° |
| C9 | C10 | C11 | H112 | 50.6° | 60.0° |
| C10 | C11 | C12 | H111 | 120.3° | 120.1° |
| C10 | C11 | C12 | H112 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 95.3° | 180.0° |
| C11 | C10 | C9 | H91 | 64.9° | 60.0° |
| C11 | C10 | C9 | H92 | 54.3° | 60.0° |
| C11 | C10 | H101 | H102 | 119.3° | 120.0° |
| C10 | C11 | H111 | H112 | 119.0° | 120.0° |
| C10 | C11 | C12 | H121 | 144.5° | 60.0° |
| C10 | C11 | C12 | H122 | 24.9° | 60.0° |
| C11 | C12 | C13 | H121 | 120.2° | 120.0° |
| C11 | C12 | C13 | H122 | 120.2° | 120.0° |
| C11 | C12 | C13 | C14 | 142.1° | 180.0° |
| C12 | C11 | C10 | H101 | 50.7° | 60.0° |
| C12 | C11 | C10 | H102 | 68.8° | 60.0° |
| C12 | C11 | H111 | H112 | 118.9° | 120.0° |
| C11 | C12 | H121 | H122 | 119.4° | 120.0° |
| C11 | C12 | C13 | H131 | 21.8° | 60.0° |
| C11 | C12 | C13 | H132 | 97.7° | 60.0° |
| C12 | C13 | C14 | H131 | 120.3° | 120.0° |
| C12 | C13 | C14 | H132 | 120.3° | 120.0° |
| C12 | C13 | C14 | C15 | 103.8° | 125.0° |
| C13 | C12 | C11 | H111 | 25.0° | 59.9° |
| C13 | C12 | C11 | H112 | 144.3° | 60.0° |
| C13 | C12 | H121 | H122 | 119.4° | 120.0° |
| C12 | C13 | H131 | H132 | 119.1° | 120.0° |
| C12 | C13 | C14 | H141 | 76.2° | 55.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 130.9° | 180.0° |
| C14 | C13 | C12 | H121 | 97.7° | 60.0° |
| C14 | C13 | C12 | H122 | 21.9° | 60.0° |
| C14 | C13 | H131 | H132 | 119.1° | 120.0° |
| C13 | C14 | C15 | H151 | 49.1° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.2° | 125.0° |
| C15 | C14 | C13 | H131 | 135.9° | 5.0° |
| C15 | C14 | C13 | H132 | 16.5° | 115.0° |
| C14 | C15 | C16 | H161 | 66.1° | 115.0° |
| C15 | C16 | C17 | H161 | 113.7° | 120.0° |
| C15 | C16 | C17 | C18 | 141.7° | 179.1° |
| C15 | C16 | O1 | H1O | 180.0° | 65.4° |
| C16 | C15 | C14 | H141 | 49.1° | 0.0° |
| C15 | C16 | C17 | H171 | 99.9° | 60.9° |
| C16 | C17 | C18 | H171 | 118.3° | 120.0° |
| C16 | C17 | N1 | H11N | 43.0° | 25.0° |
| C17 | C16 | O1 | H1O | 41.8° | 54.6° |
| C17 | C16 | C15 | H151 | 0.8° | 55.0° |
| C16 | C17 | C18 | H181 | 41.1° | 175.6° |
| C16 | C17 | C18 | H182 | 74.7° | 64.4° |
| C18 | C17 | N1 | H11N | 71.6° | 95.0° |
| C18 | C17 | C16 | H161 | 28.0° | 59.1° |
| C17 | C18 | H181 | H182 | 112.8° | 120.0° |
| C17 | C18 | O2 | H2O | 180.0° | 180.0° |
| O3 | C19 | C20 | C21 | 52.3° | 0.1° |
| O3 | C19 | N1 | H11N | 175.4° | 179.9° |
| O3 | C19 | C20 | H201 | 172.8° | 120.0° |
| O3 | C19 | C20 | H202 | 68.1° | 119.9° |
| C19 | C20 | C21 | H201 | 120.4° | 120.0° |
| C19 | C20 | C21 | H202 | 120.5° | 120.1° |
| C19 | C20 | C21 | C22 | 88.6° | 180.0° |
| C20 | C19 | N1 | H11N | 3.1° | 0.0° |
| C19 | C20 | H201 | H202 | 118.7° | 120.1° |
| C19 | C20 | C21 | H211 | 150.7° | 60.1° |
| C19 | C20 | C21 | H212 | 32.1° | 60.0° |
| C20 | C21 | C22 | H211 | 120.7° | 120.0° |
| C20 | C21 | C22 | H212 | 120.7° | 120.0° |
| C20 | C21 | C22 | C23 | 173.0° | 180.0° |
| C21 | C20 | H201 | H202 | 118.7° | 120.0° |
| C20 | C21 | H211 | H212 | 117.8° | 120.1° |
| C20 | C21 | C22 | H221 | 66.7° | 60.0° |
| C20 | C21 | C22 | H222 | 52.7° | 59.9° |
| C21 | C22 | C23 | H221 | 120.4° | 120.0° |
| C21 | C22 | C23 | H222 | 120.3° | 120.1° |
| C21 | C22 | C23 | C24 | 165.0° | 180.0° |
| C22 | C21 | C20 | H201 | 31.8° | 60.0° |
| C22 | C21 | C20 | H202 | 150.9° | 60.0° |
| C22 | C21 | H211 | H212 | 117.8° | 119.9° |
| C21 | C22 | H221 | H222 | 118.9° | 120.0° |
| C21 | C22 | C23 | H231 | 74.4° | 60.0° |
| C21 | C22 | C23 | H232 | 44.3° | 60.0° |
| C22 | C23 | C24 | H231 | 120.6° | 120.0° |
| C22 | C23 | C24 | H232 | 120.6° | 120.0° |
| C22 | C23 | C24 | C25 | 175.1° | 180.0° |
| C23 | C22 | C21 | H211 | 52.3° | 60.0° |
| C23 | C22 | C21 | H212 | 66.3° | 60.0° |
| C23 | C22 | H221 | H222 | 118.9° | 120.0° |
| C22 | C23 | H231 | H232 | 118.1° | 120.0° |
| C22 | C23 | C24 | H241 | 54.7° | 60.0° |
| C22 | C23 | C24 | H242 | 64.5° | 60.0° |
| C23 | C24 | C25 | H241 | 120.4° | 120.0° |
| C23 | C24 | C25 | H242 | 120.4° | 120.0° |
| C23 | C24 | C25 | C26 | 145.1° | 180.0° |
| C24 | C23 | C22 | H221 | 44.6° | 60.0° |
| C24 | C23 | C22 | H222 | 74.7° | 59.9° |
| C24 | C23 | H231 | H232 | 118.0° | 120.0° |
| C23 | C24 | H241 | H242 | 118.7° | 120.0° |
| C23 | C24 | C25 | H251 | 94.5° | 60.1° |
| C23 | C24 | C25 | H252 | 24.6° | 60.0° |
| C24 | C25 | C26 | H251 | 120.5° | 120.0° |
| C24 | C25 | C26 | H252 | 120.5° | 120.0° |
| C24 | C25 | C26 | C27 | 168.0° | 180.0° |
| C25 | C24 | C23 | H231 | 64.3° | 60.0° |
| C25 | C24 | C23 | H232 | 54.5° | 60.0° |
| C25 | C24 | H241 | H242 | 118.7° | 120.0° |
| C24 | C25 | H251 | H252 | 118.6° | 120.1° |
| C24 | C25 | C26 | H261 | 47.5° | 60.0° |
| C24 | C25 | C26 | H262 | 71.6° | 59.9° |
| C25 | C26 | C27 | H261 | 120.5° | 120.0° |
| C25 | C26 | C27 | H262 | 120.5° | 120.0° |
| C25 | C26 | C27 | C28 | 120.1° | 180.0° |
| C26 | C25 | C24 | H241 | 24.6° | 60.0° |
| C26 | C25 | C24 | H242 | 94.5° | 60.0° |
| C26 | C25 | H251 | H252 | 118.6° | 120.0° |
| C25 | C26 | H261 | H262 | 118.7° | 119.9° |
| C25 | C26 | C27 | H271 | 119.4° | 60.0° |
| C25 | C26 | C27 | H272 | 0.4° | 60.0° |
| C26 | C27 | C28 | H271 | 120.5° | 120.0° |
| C26 | C27 | C28 | H272 | 120.5° | 120.0° |
| C26 | C27 | C28 | C29 | 155.6° | 180.0° |
| C27 | C26 | C25 | H251 | 71.6° | 60.0° |
| C27 | C26 | C25 | H252 | 47.5° | 60.0° |
| C27 | C26 | H261 | H262 | 118.6° | 120.0° |
| C26 | C27 | H271 | H272 | 118.5° | 119.9° |
| C26 | C27 | C28 | H281 | 35.1° | 60.1° |
| C26 | C27 | C28 | H282 | 84.0° | 60.0° |
| C27 | C28 | C29 | H281 | 120.5° | 119.9° |
| C27 | C28 | C29 | H282 | 120.5° | 120.1° |
| C27 | C28 | C29 | C30 | 170.0° | 180.0° |
| C28 | C27 | C26 | H261 | 0.3° | 60.0° |
| C28 | C27 | C26 | H262 | 119.4° | 59.9° |
| C28 | C27 | H271 | H272 | 118.4° | 120.1° |
| C27 | C28 | H281 | H282 | 118.6° | 120.1° |
| C27 | C28 | C29 | H291 | 69.5° | 60.0° |
| C27 | C28 | C29 | H292 | 49.5° | 60.0° |
| C28 | C29 | C30 | H291 | 120.5° | 120.0° |
| C28 | C29 | C30 | H292 | 120.5° | 120.0° |
| C28 | C29 | C30 | C31 | 172.0° | 180.0° |
| C29 | C28 | C27 | H271 | 83.9° | 60.0° |
| C29 | C28 | C27 | H272 | 35.1° | 60.0° |
| C29 | C28 | H281 | H282 | 118.6° | 120.0° |
| C28 | C29 | H291 | H292 | 118.5° | 120.0° |
| C28 | C29 | C30 | H301 | 52.7° | 60.0° |
| C28 | C29 | C30 | H302 | 68.7° | 59.9° |
| C29 | C30 | C31 | H301 | 119.3° | 120.0° |
| C29 | C30 | C31 | H302 | 119.3° | 120.0° |
| C29 | C30 | C31 | C32 | 38.3° | 180.0° |
| C30 | C29 | C28 | H281 | 49.5° | 60.0° |
| C30 | C29 | C28 | H282 | 69.5° | 60.0° |
| C30 | C29 | H291 | H292 | 118.5° | 119.9° |
| C29 | C30 | H301 | H302 | 122.1° | 120.0° |
| C29 | C30 | C31 | H311 | 161.7° | 60.0° |
| C29 | C30 | C31 | H312 | 85.1° | 59.9° |
| C30 | C31 | C32 | H311 | 123.4° | 120.0° |
| C30 | C31 | C32 | H312 | 123.4° | 120.0° |
| C30 | C31 | C32 | C33 | 179.5° | 180.0° |
| C31 | C30 | C29 | H291 | 67.5° | 60.0° |
| C31 | C30 | C29 | H292 | 51.6° | 60.0° |
| C31 | C30 | H301 | H302 | 122.1° | 120.0° |
| C30 | C31 | H311 | H312 | 107.4° | 120.0° |
| C30 | C31 | C32 | H321 | 58.0° | 60.0° |
| C30 | C31 | C32 | H322 | 58.9° | 60.0° |
| C31 | C32 | C33 | H321 | 121.6° | 120.0° |
| C31 | C32 | C33 | H322 | 121.6° | 120.0° |
| C31 | C32 | C33 | C34 | 159.6° | 180.0° |
| C32 | C31 | C30 | H301 | 81.0° | 60.0° |
| C32 | C31 | H311 | H312 | 107.4° | 120.0° |
| C31 | C32 | H321 | H322 | 114.8° | 120.0° |
| C31 | C32 | C33 | H331 | 38.8° | 60.1° |
| C32 | C31 | C30 | H302 | 157.6° | 60.0° |
| C31 | C32 | C33 | H332 | 79.5° | 60.0° |
| C32 | C33 | C34 | H331 | 120.9° | 120.0° |
| C32 | C33 | C34 | H332 | 120.9° | 120.0° |
| C32 | C33 | C34 | C35 | 92.9° | 180.0° |
| C33 | C32 | C31 | H311 | 57.0° | 60.0° |
| C33 | C32 | H321 | H322 | 114.8° | 120.0° |
| C32 | C33 | H331 | H332 | 117.3° | 120.1° |
| C32 | C33 | C34 | H341 | 28.3° | 60.0° |
| C33 | C32 | C31 | H312 | 56.1° | 60.0° |
| C32 | C33 | C34 | H342 | 145.9° | 60.0° |
| C33 | C34 | C35 | H341 | 121.2° | 120.0° |
| C33 | C34 | C35 | H342 | 121.2° | 120.0° |
| C33 | C34 | C35 | C36 | 144.9° | 180.0° |
| C34 | C33 | C32 | H321 | 78.8° | 60.0° |
| C34 | C33 | C32 | H322 | 38.1° | 60.0° |
| C34 | C33 | H331 | H332 | 117.4° | 119.9° |
| C33 | C34 | H341 | H342 | 116.2° | 119.9° |
| C33 | C34 | C35 | H351 | 93.7° | 60.0° |
| C33 | C34 | C35 | H352 | 23.5° | 60.0° |
| C34 | C35 | C36 | H351 | 121.4° | 120.0° |
| C34 | C35 | C36 | H352 | 121.4° | 120.0° |
| C34 | C35 | C36 | C37 | 124.0° | 180.0° |
| C35 | C34 | C33 | H331 | 146.3° | 60.0° |
| C35 | C34 | H341 | H342 | 116.2° | 120.0° |
| C34 | C35 | H351 | H352 | 115.5° | 120.0° |
| C34 | C35 | C36 | H361 | 4.2° | 60.0° |
| C34 | C35 | C36 | H362 | 116.3° | 60.0° |
| C35 | C34 | C33 | H332 | 28.0° | 60.0° |
| C35 | C36 | C37 | H361 | 119.7° | 120.0° |
| C35 | C36 | C37 | H362 | 119.7° | 120.0° |
| C35 | C36 | C37 | C38 | 150.9° | 180.0° |
| C36 | C35 | C34 | H341 | 23.7° | 60.0° |
| C36 | C35 | H351 | H352 | 115.5° | 120.1° |
| C35 | C36 | H361 | H362 | 120.8° | 120.0° |
| C35 | C36 | C37 | H371 | 87.2° | 60.0° |
| C36 | C35 | C34 | H342 | 94.0° | 60.0° |
| C35 | C36 | C37 | H372 | 29.1° | 60.1° |
| C36 | C37 | C38 | H371 | 121.8° | 120.1° |
| C36 | C37 | C38 | H372 | 121.8° | 120.0° |
| C36 | C37 | C38 | C39 | 177.2° | 180.0° |
| C37 | C36 | C35 | H351 | 114.6° | 60.0° |
| C37 | C36 | C35 | H352 | 2.6° | 60.1° |
| C37 | C36 | H361 | H362 | 120.8° | 120.0° |
| C36 | C37 | H371 | H372 | 114.0° | 120.0° |
| C36 | C37 | C38 | H381 | 60.0° | 60.0° |
| C36 | C37 | C38 | H382 | 54.5° | 60.0° |
| C37 | C38 | C39 | H381 | 122.7° | 120.0° |
| C37 | C38 | C39 | H382 | 122.7° | 120.0° |
| C37 | C38 | C39 | C40 | 64.0° | 180.0° |
| C38 | C37 | C36 | H361 | 31.2° | 60.0° |
| C38 | C37 | C36 | H362 | 89.4° | 60.0° |
| C38 | C37 | H371 | H372 | 114.0° | 119.9° |
| C37 | C38 | H381 | H382 | 110.6° | 120.0° |
| C37 | C38 | C39 | H391 | 176.2° | 60.0° |
| C37 | C38 | C39 | H392 | 55.8° | 60.0° |
| C38 | C39 | C40 | H391 | 119.8° | 120.0° |
| C38 | C39 | C40 | H392 | 119.8° | 120.0° |
| C38 | C39 | C40 | C41 | 178.7° | 180.0° |
| C39 | C38 | C37 | H371 | 55.4° | 59.9° |
| C39 | C38 | H381 | H382 | 110.6° | 120.0° |
| C38 | C39 | H391 | H392 | 120.6° | 120.0° |
| C39 | C38 | C37 | H372 | 60.9° | 60.0° |
| C38 | C39 | C40 | H401 | 56.6° | 60.0° |
| C38 | C39 | C40 | H402 | 59.3° | 60.0° |
| C39 | C40 | C41 | H401 | 122.1° | 120.0° |
| C39 | C40 | C41 | H402 | 122.1° | 120.0° |
| C39 | C40 | C41 | C42 | 167.4° | 180.0° |
| C40 | C39 | C38 | H381 | 58.7° | 60.0° |
| C40 | C39 | H391 | H392 | 120.6° | 120.0° |
| C40 | C39 | C38 | H382 | 173.3° | 60.0° |
| C39 | C40 | H401 | H402 | 113.1° | 120.0° |
| C39 | C40 | C41 | H411 | 68.6° | 60.0° |
| C39 | C40 | C41 | H412 | 43.3° | 60.0° |
| C40 | C41 | C42 | H411 | 124.1° | 120.0° |
| C40 | C41 | C42 | H412 | 124.1° | 120.0° |
| C41 | C40 | C39 | H391 | 61.5° | 60.0° |
| C41 | C40 | C39 | H392 | 58.9° | 60.0° |
| C40 | C41 | C42 | H421 | 180.0° | 60.0° |
| C40 | C41 | C42 | H422 | 60.0° | 180.0° |
| C40 | C41 | C42 | H423 | 60.0° | 60.0° |
| C41 | C40 | H401 | H402 | 113.2° | 120.0° |
| C40 | C41 | H411 | H412 | 104.0° | 120.0° |
| C41 | C42 | H421 | H422 | 120.0° | 120.0° |
| C41 | C42 | H421 | H423 | 120.0° | 120.0° |
| C41 | C42 | H422 | H423 | 120.0° | 120.0° |
| C42 | C41 | C40 | H401 | 45.3° | 60.0° |
| C42 | C41 | C40 | H402 | 70.6° | 60.0° |
| C42 | C41 | H411 | H412 | 104.0° | 120.0° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H11 | C1 | C2 | H21 | 59.8° | 180.0° |
| H11 | C1 | C2 | H22 | 59.7° | 60.0° |
| H12 | C1 | C2 | H21 | 60.2° | 60.0° |
| H12 | C1 | C2 | H22 | 179.7° | 59.9° |
| H13 | C1 | C2 | H21 | 179.8° | 60.1° |
| H13 | C1 | C2 | H22 | 60.3° | 180.0° |
| H11N | N1 | C17 | H171 | 163.6° | 145.0° |
| H1O | O1 | C16 | H161 | 69.4° | 174.5° |
| H21 | C2 | C3 | H31 | 164.3° | 180.0° |
| H21 | C2 | C3 | H32 | 44.8° | 60.0° |
| H22 | C2 | C3 | H31 | 76.1° | 60.0° |
| H22 | C2 | C3 | H32 | 164.4° | 180.0° |
| H31 | C3 | C4 | H41 | 125.2° | 179.9° |
| H31 | C3 | C4 | H42 | 5.8° | 60.0° |
| H32 | C3 | C4 | H41 | 115.3° | 60.0° |
| H32 | C3 | C4 | H42 | 125.3° | 180.0° |
| H41 | C4 | C5 | H51 | 123.3° | 179.9° |
| H41 | C4 | C5 | H52 | 3.8° | 60.0° |
| H42 | C4 | C5 | H51 | 117.3° | 59.9° |
| H42 | C4 | C5 | H52 | 123.3° | 180.0° |
| H51 | C5 | C6 | H61 | 121.7° | 180.0° |
| H51 | C5 | C6 | H62 | 118.7° | 60.0° |
| H52 | C5 | C6 | H61 | 2.3° | 60.0° |
| H52 | C5 | C6 | H62 | 121.8° | 180.0° |
| H61 | C6 | C7 | H71 | 152.9° | 179.9° |
| H61 | C6 | C7 | H72 | 87.6° | 60.0° |
| H62 | C6 | C7 | H71 | 33.4° | 60.0° |
| H62 | C6 | C7 | H72 | 152.9° | 180.0° |
| H71 | C7 | C8 | H81 | 128.9° | 180.0° |
| H71 | C7 | C8 | H82 | 9.4° | 60.0° |
| H72 | C7 | C8 | H81 | 111.6° | 60.0° |
| H72 | C7 | C8 | H82 | 128.8° | 180.0° |
| H81 | C8 | C9 | H91 | 96.0° | 180.0° |
| H81 | C8 | C9 | H92 | 23.3° | 60.0° |
| H82 | C8 | C9 | H91 | 144.4° | 60.0° |
| H82 | C8 | C9 | H92 | 96.3° | 180.0° |
| H91 | C9 | C10 | H101 | 174.8° | 179.9° |
| H91 | C9 | C10 | H102 | 55.3° | 60.0° |
| H92 | C9 | C10 | H101 | 65.9° | 60.0° |
| H92 | C9 | C10 | H102 | 174.5° | 180.0° |
| H101 | C10 | C11 | H111 | 171.0° | 180.0° |
| H101 | C10 | C11 | H112 | 69.6° | 60.0° |
| H102 | C10 | C11 | H111 | 51.5° | 60.0° |
| H102 | C10 | C11 | H112 | 170.9° | 180.0° |
| H111 | C11 | C12 | H121 | 95.2° | 179.9° |
| H111 | C11 | C12 | H122 | 145.2° | 60.0° |
| H112 | C11 | C12 | H121 | 24.1° | 59.9° |
| H112 | C11 | C12 | H122 | 95.5° | 180.0° |
| H121 | C12 | C13 | H131 | 142.0° | 180.0° |
| H121 | C12 | C13 | H132 | 22.5° | 60.0° |
| H122 | C12 | C13 | H131 | 98.4° | 60.0° |
| H122 | C12 | C13 | H132 | 142.2° | 180.0° |
| H131 | C13 | C14 | H141 | 44.1° | 175.1° |
| H132 | C13 | C14 | H141 | 163.5° | 65.0° |
| H141 | C14 | C15 | H151 | 130.9° | 180.0° |
| H151 | C15 | C16 | H161 | 113.9° | 65.0° |
| H161 | C16 | C17 | H171 | 146.4° | 179.1° |
| H171 | C17 | C18 | H181 | 77.3° | 64.4° |
| H171 | C17 | C18 | H182 | 167.0° | 55.6° |
| H181 | C18 | O2 | H2O | 57.9° | 60.0° |
| H182 | C18 | O2 | H2O | 57.8° | 60.0° |
| H201 | C20 | C21 | H211 | 88.9° | 180.0° |
| H201 | C20 | C21 | H212 | 152.5° | 60.0° |
| H202 | C20 | C21 | H211 | 30.2° | 60.0° |
| H202 | C20 | C21 | H212 | 88.3° | 180.0° |
| H211 | C21 | C22 | H221 | 172.6° | 180.0° |
| H211 | C21 | C22 | H222 | 68.1° | 60.1° |
| H212 | C21 | C22 | H221 | 54.1° | 60.0° |
| H212 | C21 | C22 | H222 | 173.4° | 179.9° |
| H221 | C22 | C23 | H231 | 165.2° | 180.0° |
| H221 | C22 | C23 | H232 | 76.0° | 60.0° |
| H222 | C22 | C23 | H231 | 45.9° | 60.1° |
| H222 | C22 | C23 | H232 | 164.7° | 179.9° |
| H231 | C23 | C24 | H241 | 175.3° | 180.0° |
| H231 | C23 | C24 | H242 | 56.1° | 60.0° |
| H232 | C23 | C24 | H241 | 66.0° | 60.0° |
| H232 | C23 | C24 | H242 | 174.9° | 180.0° |
| H241 | C24 | C25 | H251 | 145.1° | 179.9° |
| H241 | C24 | C25 | H252 | 95.8° | 60.0° |
| H242 | C24 | C25 | H251 | 25.9° | 59.9° |
| H242 | C24 | C25 | H252 | 145.0° | 180.0° |
| H251 | C25 | C26 | H261 | 167.9° | 179.9° |
| H251 | C25 | C26 | H262 | 48.9° | 60.1° |
| H252 | C25 | C26 | H261 | 73.0° | 60.1° |
| H252 | C25 | C26 | H262 | 167.9° | 180.0° |
| H261 | C26 | C27 | H271 | 120.2° | 180.0° |
| H261 | C26 | C27 | H272 | 120.8° | 60.1° |
| H262 | C26 | C27 | H271 | 1.1° | 60.0° |
| H262 | C26 | C27 | H272 | 120.1° | 180.0° |
| H271 | C27 | C28 | H281 | 155.6° | 180.0° |
| H271 | C27 | C28 | H282 | 36.6° | 60.0° |
| H272 | C27 | C28 | H281 | 85.4° | 59.9° |
| H272 | C27 | C28 | H282 | 155.5° | NaN° |
| H281 | C28 | C29 | H291 | 170.0° | 180.0° |
| H281 | C28 | C29 | H292 | 71.0° | 59.9° |
| H282 | C28 | C29 | H291 | 51.0° | 60.0° |
| H282 | C28 | C29 | H292 | 170.0° | 180.0° |
| H291 | C29 | C30 | H301 | 173.2° | 180.0° |
| H291 | C29 | C30 | H302 | 51.8° | 60.1° |
| H292 | C29 | C30 | H301 | 67.7° | 60.0° |
| H292 | C29 | C30 | H302 | 170.8° | 180.0° |
| H301 | C30 | C31 | H311 | 42.4° | 180.0° |
| H301 | C30 | C31 | H312 | 155.6° | 60.1° |
| H311 | C31 | C32 | H321 | 178.6° | 180.0° |
| H311 | C31 | C32 | H322 | 64.6° | 60.0° |
| H311 | C31 | C30 | H302 | 79.0° | 60.0° |
| H321 | C32 | C33 | H331 | 160.4° | 180.0° |
| H321 | C32 | C31 | H312 | 65.5° | 60.0° |
| H321 | C32 | C33 | H332 | 42.1° | 59.9° |
| H322 | C32 | C33 | H331 | 82.8° | 59.9° |
| H322 | C32 | C31 | H312 | 177.7° | 180.0° |
| H322 | C32 | C33 | H332 | 158.9° | 180.0° |
| H331 | C33 | C34 | H341 | 92.5° | 179.9° |
| H331 | C33 | C34 | H342 | 25.1° | 60.0° |
| H341 | C34 | C35 | H351 | 145.1° | 179.9° |
| H341 | C34 | C35 | H352 | 97.7° | 60.1° |
| H341 | C34 | C33 | H332 | 149.2° | 60.1° |
| H351 | C35 | C36 | H361 | 125.7° | 180.0° |
| H351 | C35 | C36 | H362 | 5.1° | 59.9° |
| H351 | C35 | C34 | H342 | 27.5° | 59.9° |
| H352 | C35 | C36 | H361 | 117.1° | 60.0° |
| H352 | C35 | C36 | H362 | 122.3° | 180.0° |
| H352 | C35 | C34 | H342 | 144.7° | 180.0° |
| H361 | C36 | C37 | H371 | 153.0° | 180.0° |
| H361 | C36 | C37 | H372 | 90.7° | 60.0° |
| H362 | C36 | C37 | H371 | 32.5° | 60.0° |
| H362 | C36 | C37 | H372 | 148.8° | 180.0° |
| H371 | C37 | C38 | H381 | 178.1° | 179.9° |
| H371 | C37 | C38 | H382 | 67.3° | 60.1° |
| H381 | C38 | C39 | H391 | 61.1° | 180.0° |
| H381 | C38 | C39 | H392 | 178.5° | 60.0° |
| H381 | C38 | C37 | H372 | 61.8° | 60.0° |
| H391 | C39 | C38 | H382 | 53.4° | 60.0° |
| H391 | C39 | C40 | H401 | 176.4° | 180.0° |
| H391 | C39 | C40 | H402 | 60.5° | 59.9° |
| H392 | C39 | C38 | H382 | 66.9° | 180.0° |
| H392 | C39 | C40 | H401 | 63.2° | 59.9° |
| H392 | C39 | C40 | H402 | 179.0° | 180.0° |
| H421 | C42 | H422 | H423 | 120.0° | 120.0° |
| H421 | C42 | C41 | H411 | 55.9° | 60.0° |
| H421 | C42 | C41 | H412 | 56.0° | 180.0° |
| H422 | C42 | C41 | H411 | 175.9° | 60.0° |
| H422 | C42 | C41 | H412 | 64.0° | 60.0° |
| H423 | C42 | C41 | H411 | 64.1° | 180.0° |
| H423 | C42 | C41 | H412 | 176.0° | 60.0° |
| H302 | C30 | C31 | H312 | 34.1° | 180.0° |
| H332 | C33 | C34 | H342 | 93.2° | 180.0° |
| H372 | C37 | C38 | H382 | 176.3° | 180.0° |
| H401 | C40 | C41 | H411 | 169.4° | 180.0° |
| H401 | C40 | C41 | H412 | 78.8° | 60.0° |
| H402 | C40 | C41 | H411 | 53.5° | 60.0° |
| H402 | C40 | C41 | H412 | 165.4° | 180.0° |
